-
1
-
-
0034291275
-
Slope nucleation method for the growth of high-quality 4-dimethylamino-methyl-4-stilbazolium-tosylate (DAST) crystals
-
Mori, Y.; Takahashi, Y.; Iwai, T.; Yoshimura, M.; Yap, Y.K.; Sasaki, T. Slope nucleation method for the growth of high-quality 4-dimethylamino-methyl-4-stilbazolium-tosylate (DAST) crystals. Jpn. J. Appl. Phys. 2000, 39, L1006-L1008.
-
(2000)
Jpn. J. Appl. Phys.
, vol.39
-
-
Mori, Y.1
Takahashi, Y.2
Iwai, T.3
Yoshimura, M.4
Yap, Y.K.5
Sasaki, T.6
-
2
-
-
42349099861
-
Organic broadband terahertz sources and sensors
-
Zheng, X.; McLaughlin, C.V.; Cunningham, P.; Hayden, L.M. Organic broadband terahertz sources and sensors. J. Nanoelectron. Optoelectron. 2007, 2, 58-76.
-
(2007)
J. Nanoelectron. Optoelectron.
, vol.2
, pp. 58-76
-
-
Zheng, X.1
McLaughlin, C.V.2
Cunningham, P.3
Hayden, L.M.4
-
3
-
-
70350334744
-
Highly selective terahertz bandpass filters based on trapped mode excitation
-
Paul, O.; Beigang, R.; Rahm, M. Highly selective terahertz bandpass filters based on trapped mode excitation. Opt. Express 2009, 17, 18590-18595.
-
(2009)
Opt. Express
, vol.17
, pp. 18590-18595
-
-
Paul, O.1
Beigang, R.2
Rahm, M.3
-
4
-
-
77952966663
-
Adiabatic compression of terahertz waves using metal flares
-
Theuer, M.; Beigang, R.; Grischkowsky, D.R. Adiabatic compression of terahertz waves using metal flares. Appl. Phys. Lett. 2010, 96, 191110:1-191110:3.
-
(2010)
Appl. Phys. Lett.
, vol.96
, pp. 1911101-1911103
-
-
Theuer, M.1
Beigang, R.2
Grischkowsky, D.R.3
-
5
-
-
77957682261
-
A tunable universal terahertz filter using artificial dielectrics based on parallel-plate waveguides
-
Mendis, R.; Nag, A.; Chen, F.; Mittleman, D.M. A tunable universal terahertz filter using artificial dielectrics based on parallel-plate waveguides. Appl. Phys. Lett. 2010, 97, 131106:1-131106:3.
-
(2010)
Appl. Phys. Lett.
, vol.97
, pp. 1311061-1311063
-
-
Mendis, R.1
Nag, A.2
Chen, F.3
Mittleman, D.M.4
-
6
-
-
77954658943
-
A 2-D artificial dielectric with 0 < n < 1 for the terahertz region
-
Mendis, R.; Mittleman, D.M. A 2-D artificial dielectric with 0 < n < 1 for the terahertz region. IEEE Trans. Microw. Theory Tech. 2010, 58, 1993-1998.
-
(2010)
IEEE Trans. Microw. Theory Tech.
, vol.58
, pp. 1993-1998
-
-
Mendis, R.1
Mittleman, D.M.2
-
7
-
-
84891368897
-
Achromatic THz wave plate composed of stacked parallel metal plates
-
Nagai, M.; Mukai, N.; Minowa, Y.; Ashida, M.; Takayanagi, J.; Ohtake, H. Achromatic THz wave plate composed of stacked parallel metal plates. Opt. Lett. 2014, 39, 146-149.
-
(2014)
Opt. Lett.
, vol.39
, pp. 146-149
-
-
Nagai, M.1
Mukai, N.2
Minowa, Y.3
Ashida, M.4
Takayanagi, J.5
Ohtake, H.6
-
8
-
-
67650097006
-
Terahertz imaging in industrial applications
-
Theuer, M.; Torosyan, G.; Ellrich, F.; Jonuscheit, J.; Beigang, R. Terahertz imaging in industrial applications. TM Tech. Mess. 2009, 75, 64-70.
-
(2009)
TM Tech. Mess.
, vol.75
, pp. 64-70
-
-
Theuer, M.1
Torosyan, G.2
Ellrich, F.3
Jonuscheit, J.4
Beigang, R.5
-
9
-
-
0000847090
-
Gas sensing using terahertz time-domain spectroscopy
-
Mittleman, D.M.; Jacobsen, R.H.; Neelamani, R.; Baraniuk, R.G.; Nuss, M.C. Gas sensing using terahertz time-domain spectroscopy. Appl. Phys. B 1998, 67, 379-390.
-
(1998)
Appl. Phys. B
, vol.67
, pp. 379-390
-
-
Mittleman, D.M.1
Jacobsen, R.H.2
Neelamani, R.3
Baraniuk, R.G.4
Nuss, M.C.5
-
10
-
-
0043238665
-
Terahertz imaging: T-ray specs
-
Zandonella, C. Terahertz imaging: T-ray specs. Nature 2003, 424, 721-722.
-
(2003)
Nature
, vol.424
, pp. 721-722
-
-
Zandonella, C.1
-
11
-
-
21044447103
-
THz imaging and sensing for security applications-Explosives, weapons and drugs
-
Federici, J.F.; Schulkin, B.; Huang, F.; Gary, D.; Barat, R.; Oliveira, F.; Zimdars, D. THz imaging and sensing for security applications-Explosives, weapons and drugs. Semicond. Sci. Technol. 2005, 20, S266-S280.
-
(2005)
Semicond. Sci. Technol.
, vol.20
-
-
Federici, J.F.1
Schulkin, B.2
Huang, F.3
Gary, D.4
Barat, R.5
Oliveira, F.6
Zimdars, D.7
-
12
-
-
84867039056
-
Substrate independence of THz vibrational modes of polycrystalline thin films of molecular solids in waveguide THz-TDS
-
doi:10.1063/1.3678000
-
Harsha, S.S.; Melinger, J.S.; Qadri, S.B.; Grischkowsky, D. Substrate independence of THz vibrational modes of polycrystalline thin films of molecular solids in waveguide THz-TDS. J. Appl. Phys. 2012, 111, doi:10.1063/1.3678000.
-
(2012)
J. Appl. Phys.
, vol.111
-
-
Harsha, S.S.1
Melinger, J.S.2
Qadri, S.B.3
Grischkowsky, D.4
-
13
-
-
84862803529
-
Identification of Genistein and Biochanin A by THz (far-infrared) vibrational spectra
-
Yang, Y.; Harsha, S.S.; Shutler, A.J.; Grischkowsky, D.R. Identification of Genistein and Biochanin A by THz (far-infrared) vibrational spectra. J. Pharm. Biomed. Anal. 2012, 62, 177-181.
-
(2012)
J. Pharm. Biomed. Anal.
, vol.62
, pp. 177-181
-
-
Yang, Y.1
Harsha, S.S.2
Shutler, A.J.3
Grischkowsky, D.R.4
-
14
-
-
77949358504
-
Terahertz communications: A 2020 vision
-
In, Miles, R.E., Zhang, X.-C., Eisele, H., Krotkus, A., Eds.; Springer: Dordrecht, The Netherlands, Theme 4
-
Koch, M. Terahertz communications: A 2020 vision. In Terahertz Frequency Detection and Identification of Materials and Objects (NATO Science for Peace and Security Series); Miles, R.E., Zhang, X.-C., Eisele, H., Krotkus, A., Eds.; Springer: Dordrecht, The Netherlands, 2007; Theme 4, pp. 325-338.
-
(2007)
Terahertz Frequency Detection and Identification of Materials and Objects (NATO Science for Peace and Security Series)
, pp. 325-338
-
-
Koch, M.1
-
15
-
-
80052496975
-
Broadband THz pulse transmission through the atmosphere
-
Yang, Y.; Mandehgar, M.; Grischkowsky, D.R. Broadband THz pulse transmission through the atmosphere. IEEE Trans. THz Sci. Technol. 2011, 1, 264-273.
-
(2011)
IEEE Trans. THz Sci. Technol.
, vol.1
, pp. 264-273
-
-
Yang, Y.1
Mandehgar, M.2
Grischkowsky, D.R.3
-
16
-
-
84889085245
-
Wireless sub-THz communication system with high data rate
-
Koenig, S.; Lopez-Diaz, D.; Antes, J.; Boes, F.; Henneberger, R.; Leuther, A.; Tessmann, A.; Schmogrow, R.; Hillerkuss, D.; Palmer, R.; et al. Wireless sub-THz communication system with high data rate. Nat. Photon. 2013, 7, 977-981.
-
(2013)
Nat. Photon.
, vol.7
, pp. 977-981
-
-
Koenig, S.1
Lopez-Diaz, D.2
Antes, J.3
Boes, F.4
Henneberger, R.5
Leuther, A.6
Tessmann, A.7
Schmogrow, R.8
Hillerkuss, D.9
Palmer, R.10
-
17
-
-
84883384319
-
Atmosphere characterization for simulation of the two optimal wireless terahertz digital communication links
-
Mandehgar, M.; Yang, Y.; Grischkowsky, D. Atmosphere characterization for simulation of the two optimal wireless terahertz digital communication links. Opt. Lett. 2013, 38, 3437-3440.
-
(2013)
Opt. Lett.
, vol.38
, pp. 3437-3440
-
-
Mandehgar, M.1
Yang, Y.2
Grischkowsky, D.3
-
18
-
-
50949098451
-
Terahertz spectroscopy: Signature and fingerprints
-
Ho, L.; Pepper, M.; Taday, P. Terahertz spectroscopy: Signature and fingerprints. Nat. Photon. 2008, 2, 541-543.
-
(2008)
Nat. Photon.
, vol.2
, pp. 541-543
-
-
Ho, L.1
Pepper, M.2
Taday, P.3
-
19
-
-
43049153278
-
Analytical terahertz spectroscopy
-
Ueno, Y.; Ajito, K. Analytical terahertz spectroscopy. Anal. Sci. 2008, 24, 185-192.
-
(2008)
Anal. Sci.
, vol.24
, pp. 185-192
-
-
Ueno, Y.1
Ajito, K.2
-
20
-
-
39049132978
-
Terahertz spectroscopy of explosives and drugs
-
Davies, A.G.; Burnett, A.D.; Fan, W.; Linfield, E.H.; Cunningham, J.E. Terahertz spectroscopy of explosives and drugs. Mater. Today 2008, 11, 18-26.
-
(2008)
Mater. Today
, vol.11
, pp. 18-26
-
-
Davies, A.G.1
Burnett, A.D.2
Fan, W.3
Linfield, E.H.4
Cunningham, J.E.5
-
21
-
-
55749100654
-
Recent pharmaceutical applications of Raman and terahertz spectroscopies
-
McGoverin, C.M.; Rades, T.; Gordon K.C. Recent pharmaceutical applications of Raman and terahertz spectroscopies. J. Pharm. Sci. 2008, 97, 4598-4621.
-
(2008)
J. Pharm. Sci.
, vol.97
, pp. 4598-4621
-
-
McGoverin, C.M.1
Rades, T.2
Gordon, K.C.3
-
22
-
-
84863167089
-
Terahertz time-domain spectroscopy of solid samples: Principles, applications, and challenges
-
Smith, R.M.; Arnold, M.A. Terahertz time-domain spectroscopy of solid samples: Principles, applications, and challenges. Appl. Spectrosc. Rev. 2011, 46, 636-679.
-
(2011)
Appl. Spectrosc. Rev.
, vol.46
, pp. 636-679
-
-
Smith, R.M.1
Arnold, M.A.2
-
23
-
-
80054743187
-
Terahertz time-domain spectroscopy of gases, liquids, and solids
-
Theuer, M.; Harsha, S.S.; Molter, D.; Torosyan, G.; Beigang, R. Terahertz time-domain spectroscopy of gases, liquids, and solids. ChemPhysChem 2011, 12, 2695-2705.
-
(2011)
ChemPhysChem
, vol.12
, pp. 2695-2705
-
-
Theuer, M.1
Harsha, S.S.2
Molter, D.3
Torosyan, G.4
Beigang, R.5
-
24
-
-
84857532697
-
Terahertz spectroscopy: A powerful new tool for the chmical sciences?
-
McIntosh, A.I.; Yang, B.; Goldup, S.M.; Watkinson, M.; Donnan, R.S. Terahertz spectroscopy: A powerful new tool for the chmical sciences? Chem. Soc. Rev. 2012, 41, 2072-2082.
-
(2012)
Chem. Soc. Rev.
, vol.41
, pp. 2072-2082
-
-
McIntosh, A.I.1
Yang, B.2
Goldup, S.M.3
Watkinson, M.4
Donnan, R.S.5
-
25
-
-
84891135144
-
Analysis of optical thickness determination of materials by THz-TDS
-
doi:10.1088/1742-6596/472/1/012005
-
Sushko, O.; Dubrovka, R.; Donnan, R.S. Analysis of optical thickness determination of materials by THz-TDS. J. Phys. Conf. Ser. 2013, 472, doi:10.1088/1742-6596/472/1/012005.
-
(2013)
J. Phys. Conf. Ser.
, vol.472
-
-
Sushko, O.1
Dubrovka, R.2
Donnan, R.S.3
-
26
-
-
84886463876
-
A THz-TDS measurement method for multiple samples
-
Ji, T.; Zhang, Z.; Zhao, H.; Chen, M.; Yu, X.; Xiao, T. A THz-TDS measurement method for multiple samples. Opt. Commun. 2014, 312, 292-295.
-
(2014)
Opt. Commun.
, vol.312
, pp. 292-295
-
-
Ji, T.1
Zhang, Z.2
Zhao, H.3
Chen, M.4
Yu, X.5
Xiao, T.6
-
27
-
-
77955189088
-
Towards THz integrated photonics
-
Hübers, H.-W. Towards THz integrated photonics. Nat. Photon. 2010, 4, 503-504.
-
(2010)
Nat. Photon.
, vol.4
, pp. 503-504
-
-
Hübers, H.-W.1
-
28
-
-
0036769849
-
Materials for terahertz science and technology
-
Ferguson, B.; Zhang, X.-C. Materials for terahertz science and technology. Nat. Mater. 2002, 1, 26-33.
-
(2002)
Nat. Mater.
, vol.1
, pp. 26-33
-
-
Ferguson, B.1
Zhang, X.-C.2
-
31
-
-
0037173681
-
Terahertz spectroscopy
-
Beard, M.C.; Turner, G.M.; Schmuttenmaer, C.A. Terahertz spectroscopy. J. Phys. Chem. B 2002, 106, 7146-7159.
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 7146-7159
-
-
Beard, M.C.1
Turner, G.M.2
Schmuttenmaer, C.A.3
-
32
-
-
32044439843
-
Terahertz time-domain spectroscopy of solids: A review
-
Hangyo, M.; Tani, M.; Nagashima, T. Terahertz time-domain spectroscopy of solids: A review. Int. J. Infrared Millim. Wave 2005, 26, 1661-1690.
-
(2005)
Int. J. Infrared Millim. Wave
, vol.26
, pp. 1661-1690
-
-
Hangyo, M.1
Tani, M.2
Nagashima, T.3
-
33
-
-
34247174373
-
Cutting-edge terahertz technology
-
Tonouchi, M. Cutting-edge terahertz technology. Nat. Photon. 2007, 1, 97-105.
-
(2007)
Nat. Photon.
, vol.1
, pp. 97-105
-
-
Tonouchi, M.1
-
34
-
-
67649910404
-
Fiber-coupled terahertz spectroscopy system
-
Ellrich, F.; Weinland, T.; Theuer, M.; Jonuscheit, J.; Beigang, R. Fiber-coupled terahertz spectroscopy system. TM Tech. Mess. 2008, 75, 14-22.
-
(2008)
TM Tech. Mess.
, vol.75
, pp. 14-22
-
-
Ellrich, F.1
Weinland, T.2
Theuer, M.3
Jonuscheit, J.4
Beigang, R.5
-
35
-
-
77956805396
-
Terahertz waves-A new spectral band for industrial measurement techniques
-
Ellrich, F.; Klier, J.; Jonuscheit, J.; Weinland, T.; Beigang, R. Terahertz waves-A new spectral band for industrial measurement techniques. TM Tech. Mess. 2010, 77, 452-461.
-
(2010)
TM Tech. Mess.
, vol.77
, pp. 452-461
-
-
Ellrich, F.1
Klier, J.2
Jonuscheit, J.3
Weinland, T.4
Beigang, R.5
-
37
-
-
84895060809
-
0.34-THz wireless link based on high-order modulation for future wireless local area network applications
-
Wang, C.; Lu, B.; Lin, C.; Chen, Q.; Miao, L.; Deng, X.; Zhang, J. 0.34-THz wireless link based on high-order modulation for future wireless local area network applications. IEEE Trans. THz Sci. Technol. 2014, 4, 75-85.
-
(2014)
IEEE Trans. THz Sci. Technol.
, vol.4
, pp. 75-85
-
-
Wang, C.1
Lu, B.2
Lin, C.3
Chen, Q.4
Miao, L.5
Deng, X.6
Zhang, J.7
-
38
-
-
84891558527
-
0.5 THz performance of a type-II DHBT with a doping-graded and constant-composition GaAsSb base
-
Xu, H.; Wu, B.; Iverson, E.W.; Low, T.S.; Feng, M. 0.5 THz performance of a type-II DHBT with a doping-graded and constant-composition GaAsSb base. IEEE Electron Dev. Lett. 2014, 35, 24-26.
-
(2014)
IEEE Electron Dev. Lett.
, vol.35
, pp. 24-26
-
-
Xu, H.1
Wu, B.2
Iverson, E.W.3
Low, T.S.4
Feng, M.5
-
39
-
-
84890477606
-
Spectroscopy of the ground, first and second excited torsional states of acetaldehyde from 0.05 to 1.6 THz
-
Smirnov, I.A.; Alekseev, E.A.; Ilyushin, V.V.; Margulés, L.; Motiyenko, R.A.; Drouin, B.J. Spectroscopy of the ground, first and second excited torsional states of acetaldehyde from 0.05 to 1.6 THz. J. Mol. Spectrosc. 2014, 295, 44-50.
-
(2014)
J. Mol. Spectrosc.
, vol.295
, pp. 44-50
-
-
Smirnov, I.A.1
Alekseev, E.A.2
Ilyushin, V.V.3
Margulés, L.4
Motiyenko, R.A.5
Drouin, B.J.6
-
40
-
-
0003794808
-
-
Gordon and Breach Science Publishers SA: Basel, Switzerland
-
Bosshard, C.; Sutter, K.; Prêtre, P.; Hulliger, J.; Flörsheimer, M.; Kaatz, P.; Günter, P. Organic Nonlinear Optical Materials (Advances in Nonlinear Optics); Gordon and Breach Science Publishers SA: Basel, Switzerland, 1995; Volume 1.
-
(1995)
Organic Nonlinear Optical Materials (Advances in Nonlinear Optics)
, vol.1
-
-
Bosshard, C.1
Sutter, K.2
Prêtre, P.3
Hulliger, J.4
Flörsheimer, M.5
Kaatz, P.6
Günter, P.7
-
41
-
-
0031168969
-
Self-assembly of an acentric co-crystal of a highly hyperpolarizable merocyanine dye with optimized alignment for nonlinear optics
-
Wong, M.S.; Pan, F.; Gramlich, V.; Bosshard, C.; Günter, P. Self-assembly of an acentric co-crystal of a highly hyperpolarizable merocyanine dye with optimized alignment for nonlinear optics. Adv. Mater. 1997, 9, 554-557.
-
(1997)
Adv. Mater.
, vol.9
, pp. 554-557
-
-
Wong, M.S.1
Pan, F.2
Gramlich, V.3
Bosshard, C.4
Günter, P.5
-
42
-
-
0033447785
-
Nonlinear optical organic co-crystals of merocyanine dyes and phenolic derivatives with short hydrogen bonds
-
Bosshard, C.; Pan, F.; Wong, M.S.; Manetta, S.; Spreiter, R.; Cai, C.; Günter, P.; Gramlich, V. Nonlinear optical organic co-crystals of merocyanine dyes and phenolic derivatives with short hydrogen bonds. Chem. Phys. 1999, 245, 377-394.
-
(1999)
Chem. Phys.
, vol.245
, pp. 377-394
-
-
Bosshard, C.1
Pan, F.2
Wong, M.S.3
Manetta, S.4
Spreiter, R.5
Cai, C.6
Günter, P.7
Gramlich, V.8
-
43
-
-
33847279315
-
High-quality organic single crystalline thin films for nonlinear optical applications by vapor growth
-
Choubey, A.; Kwon, O.-P.; Jazbinsek, M.; Günter, P. High-quality organic single crystalline thin films for nonlinear optical applications by vapor growth. Cryst. Growth Des. 2007, 7, 402-405.
-
(2007)
Cryst. Growth Des.
, vol.7
, pp. 402-405
-
-
Choubey, A.1
Kwon, O.-P.2
Jazbinsek, M.3
Günter, P.4
-
44
-
-
0003617480
-
-
Springer Series in Optical Sciences; Springer: Berlin, Germany
-
Günter, P. Nonlinear Optical Effects and Materials; Springer Series in Optical Sciences; Springer: Berlin, Germany, 2000; Volume 72.
-
(2000)
Nonlinear Optical Effects and Materials
, vol.72
-
-
Günter, P.1
-
45
-
-
61549093395
-
Pyrrole-based hydrazone organic nonlinear optical crystals and their polymorphs
-
Kwon, O.-P.; Jazbinsek, M.; Yun, H.; Seo, J.-I.; Kim, E.-M.; Lee, Y.-S.; Günter, P. Pyrrole-based hydrazone organic nonlinear optical crystals and their polymorphs. Cryst. Growth Des. 2008, 8, 4021-4025.
-
(2008)
Cryst. Growth Des.
, vol.8
, pp. 4021-4025
-
-
Kwon, O.-P.1
Jazbinsek, M.2
Yun, H.3
Seo, J.-I.4
Kim, E.-M.5
Lee, Y.-S.6
Günter, P.7
-
46
-
-
77950844785
-
Crystal growth and morphology control of OH1 organic electrooptic crystals
-
Kwon, S.-J.; Jazbinsek, M.; Kwon, O-P.; Günter, P. Crystal growth and morphology control of OH1 organic electrooptic crystals. Cryst. Growth Des. 2010, 10, 1552-1558.
-
(2010)
Cryst. Growth Des.
, vol.10
, pp. 1552-1558
-
-
Kwon, S.-J.1
Jazbinsek, M.2
Kwon, O.-P.3
Günter, P.4
-
47
-
-
34347355359
-
Precise ab-initio prediction of terahertz vibrational modes in crystalline systems
-
Jepsen, P.U.; Clark, S.J. Precise ab-initio prediction of terahertz vibrational modes in crystalline systems. Chem. Phys. Lett. 2007, 442, 275-280.
-
(2007)
Chem. Phys. Lett.
, vol.442
, pp. 275-280
-
-
Jepsen, P.U.1
Clark, S.J.2
-
48
-
-
78649553489
-
Solid-state density functional theory investigation of the terahertz spectra of the structural isomers 1,2-dicyanobenzene and 1,3-dicyanobenzene
-
Oppenheim, K.C.; Korter, T.M.; Melinger, J.S.; Grischkowsky, D. Solid-state density functional theory investigation of the terahertz spectra of the structural isomers 1,2-dicyanobenzene and 1,3-dicyanobenzene. J. Phys. Chem. A 2010, 114, 12513-12521.
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 12513-12521
-
-
Oppenheim, K.C.1
Korter, T.M.2
Melinger, J.S.3
Grischkowsky, D.4
-
49
-
-
0037016451
-
The hydrogen bond in the solid state
-
Steiner, T. The hydrogen bond in the solid state. Angew. Chem. Int. Ed. 2002, 41, 48-76.
-
(2002)
Angew. Chem. Int. Ed.
, vol.41
, pp. 48-76
-
-
Steiner, T.1
-
52
-
-
0001307597
-
Vibrational spectroscopy of the hydrogen bond
-
In, Schuster, P., Zundel, G., Sandorfy, C., Eds.; North-Holland Publishing Company: Amsterdam, The Netherlands
-
Hadži, D.; Bratos, S. Vibrational spectroscopy of the hydrogen bond. In The Hydrogen Bond: Recent Developments in Theory and Experiment; Schuster, P., Zundel, G., Sandorfy, C., Eds.; North-Holland Publishing Company: Amsterdam, The Netherlands, 1976; Volume 2, pp. 565-612.
-
(1976)
The Hydrogen Bond: Recent Developments in Theory and Experiment
, vol.2
, pp. 565-612
-
-
Hadži, D.1
Bratos, S.2
-
53
-
-
0003993783
-
Intermolecular forces
-
In, Huyskens, P.L., Luck, W.A.P., Zeegers-Huyskens, T., Eds.; Springer-Verlag: Berlin, Germany
-
Zeegers-Huyskens, T.; Huyskens, P.L. Intermolecular forces. In Intermolecular Forces; Huyskens, P.L., Luck, W.A.P., Zeegers-Huyskens, T., Eds.; Springer-Verlag: Berlin, Germany, 1991; pp. 1-30.
-
(1991)
Intermolecular Forces
, pp. 1-30
-
-
Zeegers-Huyskens, T.1
Huyskens, P.L.2
-
56
-
-
12044257628
-
Covalent nature of the strong homonuclear hydrogen bond. Study of the O-H···O system by crystal structure correlation methods
-
Gilli, P.; Bertolasi, V.; Ferretti, V.; Gilli, G. Covalent nature of the strong homonuclear hydrogen bond. Study of the O-H···O system by crystal structure correlation methods. J. Am. Chem. Soc. 1994, 116, 909-915.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 909-915
-
-
Gilli, P.1
Bertolasi, V.2
Ferretti, V.3
Gilli, G.4
-
58
-
-
36949064021
-
The O-H···O hydrogen bond in crystals
-
Sutor, D.J. The O-H···O hydrogen bond in crystals. Nature 1962, 195, 68-69.
-
(1962)
Nature
, vol.195
, pp. 68-69
-
-
Sutor, D.J.1
-
59
-
-
33845554708
-
Crystallographic evidence for the existence of C-H···O, C-H···N, and C-H···Cl hydrogen bonds
-
Taylor, R.; Kennard, O. Crystallographic evidence for the existence of C-H···O, C-H···N, and C-H···Cl hydrogen bonds. J. Am. Chem. Soc. 1982, 104, 5063-5070.
-
(1982)
J. Am. Chem. Soc.
, vol.104
, pp. 5063-5070
-
-
Taylor, R.1
Kennard, O.2
-
60
-
-
0003730161
-
-
2nd ed.; SSCI, Inc.: West Lafayette, IN, USA
-
Byrn, S.R.; Pfeiffer, R.R.; Stowell, J.G. Solid-State Chemistry of Drugs, 2nd ed.; SSCI, Inc.: West Lafayette, IN, USA, 1999.
-
(1999)
Solid-State Chemistry of Drugs
-
-
Byrn, S.R.1
Pfeiffer, R.R.2
Stowell, J.G.3
-
62
-
-
37049075067
-
Analysis of organic polymorphs. A review
-
Threlfall, T.L. Analysis of organic polymorphs. A review. Analyst 1995, 120, 2435-2460.
-
(1995)
Analyst
, vol.120
, pp. 2435-2460
-
-
Threlfall, T.L.1
-
63
-
-
0030696761
-
Crystal gazing: Structure prediction and polymorphism
-
Desiraju, G.R. Crystal gazing: Structure prediction and polymorphism. Science 1997, 278, 404-405.
-
(1997)
Science
, vol.278
, pp. 404-405
-
-
Desiraju, G.R.1
-
64
-
-
33646479465
-
Characterization of crystalline phase-transformations in theophylline by time-domain terahertz spectroscopy
-
Upadhya, P.C.; Nguyen, K.L.; Shen, Y.C.; Obradovic, J.; Fukushige, K.; Griffiths, R.; Gladden, L.F.; Davies, A.G.; Linfield, E.H. Characterization of crystalline phase-transformations in theophylline by time-domain terahertz spectroscopy. Spectrosc. Lett. 2006, 39, 215-224.
-
(2006)
Spectrosc. Lett.
, vol.39
, pp. 215-224
-
-
Upadhya, P.C.1
Nguyen, K.L.2
Shen, Y.C.3
Obradovic, J.4
Fukushige, K.5
Griffiths, R.6
Gladden, L.F.7
Davies, A.G.8
Linfield, E.H.9
-
65
-
-
31144478947
-
Understanding the influence of polymorphism on phonon spectra: Lattice dynamics calculations and terahertz spectroscopy of carbamazepine
-
Day, G.M.; Zeitler, J.A.; Jones, W.; Rades, T.; Taday, P.F. Understanding the influence of polymorphism on phonon spectra: Lattice dynamics calculations and terahertz spectroscopy of carbamazepine. J. Phys. Chem. B 2006, 110, 447-456.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 447-456
-
-
Day, G.M.1
Zeitler, J.A.2
Jones, W.3
Rades, T.4
Taday, P.F.5
-
66
-
-
33847640899
-
Terahertz time-domain spectroscopy and the quantitative monitoring of mechanochemical cocrystal formation
-
Nguyen, K.L.; Friščić, T.; Day, G.M.; Gladden, L.F.; Jones, W. Terahertz time-domain spectroscopy and the quantitative monitoring of mechanochemical cocrystal formation. Nat. Mater. 2007, 6, 206-209.
-
(2007)
Nat. Mater.
, vol.6
, pp. 206-209
-
-
Nguyen, K.L.1
Friščić, T.2
Day, G.M.3
Gladden, L.F.4
Jones, W.5
-
67
-
-
57449095886
-
Understanding the solid-state forms of fenofibrate-A spectroscopic and computational study
-
Heinz, A.; Gordon, K.C.; McGoverin, C.M.; Rades, T.; Strachan, C.J. Understanding the solid-state forms of fenofibrate-A spectroscopic and computational study. Eur. J. Pharm. Biopharm. 2009, 71, 100-108.
-
(2009)
Eur. J. Pharm. Biopharm.
, vol.71
, pp. 100-108
-
-
Heinz, A.1
Gordon, K.C.2
McGoverin, C.M.3
Rades, T.4
Strachan, C.J.5
-
68
-
-
80053919712
-
Importance of accurate spectral simulations for the analysis of terahertz spectra: Citric acid anhydrate and monohydrate
-
King, M.D.; Davis, E.A.; Smith, T.M.; Korter, T.M. Importance of accurate spectral simulations for the analysis of terahertz spectra: Citric acid anhydrate and monohydrate. J. Phys. Chem. A 2011, 115, 11039-11044.
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 11039-11044
-
-
King, M.D.1
Davis, E.A.2
Smith, T.M.3
Korter, T.M.4
-
69
-
-
84864764235
-
Investigating tautomeric polymorphism in crystalline anthranilic acid using terahertz spectroscopy and solid-state density functional theory
-
Delaney, S.P.; Witko, E.M.; Smith, T.M.; Korter, T.M. Investigating tautomeric polymorphism in crystalline anthranilic acid using terahertz spectroscopy and solid-state density functional theory. J. Phys. Chem. A 2012, 116, 8051-8057.
-
(2012)
J. Phys. Chem. A
, vol.116
, pp. 8051-8057
-
-
Delaney, S.P.1
Witko, E.M.2
Smith, T.M.3
Korter, T.M.4
-
70
-
-
84874025100
-
Chemical mapping of pharmaceutical cocrystals using terahertz spectroscopic imaging
-
Charron, D.M.; Ajito, K.; Kim, J.-Y.; Ueno, Y. Chemical mapping of pharmaceutical cocrystals using terahertz spectroscopic imaging. Anal. Chem. 2013, 85, 1980-1984.
-
(2013)
Anal. Chem.
, vol.85
, pp. 1980-1984
-
-
Charron, D.M.1
Ajito, K.2
Kim, J.-Y.3
Ueno, Y.4
-
71
-
-
84879868753
-
Evaluating the roles of conformational strain and cohesive binding in crystalline polymorphs of aripiprazole
-
Delaney, S.P.; Pan, D.; Yin, S.X.; Smith, T.M.; Korter, T.M. Evaluating the roles of conformational strain and cohesive binding in crystalline polymorphs of aripiprazole. Cryst. Growth Des. 2013, 13, 2943-2952.
-
(2013)
Cryst. Growth Des.
, vol.13
, pp. 2943-2952
-
-
Delaney, S.P.1
Pan, D.2
Yin, S.X.3
Smith, T.M.4
Korter, T.M.5
-
72
-
-
84879417534
-
Translational vibrations between chains of hydrogen-bonded molecules in solid-state aspirin form I
-
Takahashi, M.; Ishikawa, Y. Translational vibrations between chains of hydrogen-bonded molecules in solid-state aspirin form I. Chem. Phys. Lett. 2013, 576, 21-25.
-
(2013)
Chem. Phys. Lett.
, vol.576
, pp. 21-25
-
-
Takahashi, M.1
Ishikawa, Y.2
-
73
-
-
45349087599
-
Conformational polymorphism in organic crystals
-
Nangia, A. Conformational polymorphism in organic crystals. Acc. Chem. Res. 2008, 41, 595-604.
-
(2008)
Acc. Chem. Res.
, vol.41
, pp. 595-604
-
-
Nangia, A.1
-
74
-
-
84897583933
-
Conformational polymorphism
-
Cruz-Cabeza, A.J.; Bernstein, J. Conformational polymorphism. Chem. Rev. 2014, 114, 2170-2191.
-
(2014)
Chem. Rev.
, vol.114
, pp. 2170-2191
-
-
Cruz-Cabeza, A.J.1
Bernstein, J.2
-
75
-
-
56549131007
-
Packing polymorphism of a conformationally flexible molecule (aprepitant)
-
Braun, D.E.; Gelbrich, T.; Kahlenberg, V.; Laus, G.; Wieser, J.; Griesser, U.J. Packing polymorphism of a conformationally flexible molecule (aprepitant). New J. Chem. 2008, 32, 1677-1685.
-
(2008)
New J. Chem.
, vol.32
, pp. 1677-1685
-
-
Braun, D.E.1
Gelbrich, T.2
Kahlenberg, V.3
Laus, G.4
Wieser, J.5
Griesser, U.J.6
-
76
-
-
65949088359
-
Polymorphism and solvatomorphism 2007
-
Brittain, H.G. Polymorphism and solvatomorphism 2007. J. Pharm. Sci. 2009, 98, 1617-1642.
-
(2009)
J. Pharm. Sci.
, vol.98
, pp. 1617-1642
-
-
Brittain, H.G.1
-
77
-
-
4644225661
-
In situ cryocrystallization of diphenyl ether: C-H···π mediated polymorphic forms
-
Choudhury, A.R.; Islam, K.; Kirchner, M.T.; Mehta, G.; Row, T.N.G. In situ cryocrystallization of diphenyl ether: C-H···π mediated polymorphic forms. J. Am. Chem. Soc. 2004, 126, 12274-12275.
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 12274-12275
-
-
Choudhury, A.R.1
Islam, K.2
Kirchner, M.T.3
Mehta, G.4
Row, T.N.G.5
-
78
-
-
27544509209
-
Polymorphs of 4"-(hex-5-ynyloxy)-2,2":6",2″-terpyridine: Structural diversity arising from weak intermolecular interactions in the solid state
-
Constable, E.C.; Housecroft, C.E.; Neuburger, M.; Schaffner, S.; Shardlow, E.J. Polymorphs of 4"-(hex-5-ynyloxy)-2,2":6",2″-terpyridine: Structural diversity arising from weak intermolecular interactions in the solid state. CrystEngComm 2005, 7, 599-602.
-
(2005)
CrystEngComm
, vol.7
, pp. 599-602
-
-
Constable, E.C.1
Housecroft, C.E.2
Neuburger, M.3
Schaffner, S.4
Shardlow, E.J.5
-
79
-
-
28044460107
-
Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: The influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder
-
Omondi, B.; Fernandes, M.A.; Layh, M.; Levendis, D.C.; Look, J.L.; Mkwizu, T.S.P. Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: The influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder. CrystEngComm 2005, 7, 690-700.
-
(2005)
CrystEngComm
, vol.7
, pp. 690-700
-
-
Omondi, B.1
Fernandes, M.A.2
Layh, M.3
Levendis, D.C.4
Look, J.L.5
Mkwizu, T.S.P.6
-
80
-
-
19944423844
-
Polymorphism in 1-(4-fluorophenyl)-3,6,6-trimethyl-2-phenyl-1,5,6,7-tetrahydro-4H-indol-4-one: A subtle interplay of weak intermolecular interactions
-
Chopra, D.; Nagarajan, K.; Row, T.N.G. Polymorphism in 1-(4-fluorophenyl)-3,6,6-trimethyl-2-phenyl-1,5,6,7-tetrahydro-4H-indol-4-one: A subtle interplay of weak intermolecular interactions. Cryst. Growth Des. 2005, 5, 1035-1039.
-
(2005)
Cryst. Growth Des.
, vol.5
, pp. 1035-1039
-
-
Chopra, D.1
Nagarajan, K.2
Row, T.N.G.3
-
81
-
-
33745507286
-
Solvent mediated centric/non-centric polymorph pairs of an indole derivative: Subtle variation of C-H···O hydrogen bonds and C-H···π interactions
-
Choudhury, A.R.; Nagarajan, K.; Row, T.N.G. Solvent mediated centric/non-centric polymorph pairs of an indole derivative: Subtle variation of C-H···O hydrogen bonds and C-H···π interactions. CrystEngComm 2006, 8, 482-488.
-
(2006)
CrystEngComm
, vol.8
, pp. 482-488
-
-
Choudhury, A.R.1
Nagarajan, K.2
Row, T.N.G.3
-
82
-
-
33947618181
-
Search for a predicted hydrogen bonding motif-A multidisciplinary investigation into the polymorphism of 3-azabicyclo[3.3.1]nonane-2,4-dione
-
Hulme, A.T.; Johnston, A.; Florence, A.J.; Fernandes, P.; Shankland, K.; Bedford, C.T.; Welch, G.W.A.; Sadiq, G.; Haynes, D.A.; Motherwell, W.D.S.; et al. Search for a predicted hydrogen bonding motif-A multidisciplinary investigation into the polymorphism of 3-azabicyclo[3.3.1]nonane-2,4-dione. J. Am. Chem. Soc. 2007, 129, 3649-3657.
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 3649-3657
-
-
Hulme, A.T.1
Johnston, A.2
Florence, A.J.3
Fernandes, P.4
Shankland, K.5
Bedford, C.T.6
Welch, G.W.A.7
Sadiq, G.8
Haynes, D.A.9
Motherwell, W.D.S.10
-
83
-
-
72249083568
-
Hydrogen bonding in nitrofurantoin polymorphs: A computation-assisted spectroscopic study
-
Sardo, M.; Amado, A.M.; Ribeiro-Claro, P.J.A. Hydrogen bonding in nitrofurantoin polymorphs: A computation-assisted spectroscopic study. J. Raman Spectrosc. 2009, 40, 1956-1965.
-
(2009)
J. Raman Spectrosc.
, vol.40
, pp. 1956-1965
-
-
Sardo, M.1
Amado, A.M.2
Ribeiro-Claro, P.J.A.3
-
84
-
-
79957930555
-
The effect of multiple weak interactions on the charge transport ability in polymorphs
-
Yu, F.; Yang, G.; Su, Z. The effect of multiple weak interactions on the charge transport ability in polymorphs. Synth. Met. 2011, 161, 1073-1078.
-
(2011)
Synth. Met.
, vol.161
, pp. 1073-1078
-
-
Yu, F.1
Yang, G.2
Su, Z.3
-
85
-
-
79960207273
-
Importance of weak interactions in developing 1,3-bis(4,6-dimethyl-1H-nicotinonitrile-1-yl)1,3-dioxy propane polymorphs
-
Tewari, A.K.; Singh, V.P.; Dubey, R.; Puerta, C.; Valerga, P.; Verma, R. Importance of weak interactions in developing 1,3-bis(4,6-dimethyl-1H-nicotinonitrile-1-yl)1,3-dioxy propane polymorphs. Spectrochim. Acta Part A Mol. Biomol. Spectrosc. 2011, 79, 1267-1275.
-
(2011)
Spectrochim. Acta Part A Mol. Biomol. Spectrosc.
, vol.79
, pp. 1267-1275
-
-
Tewari, A.K.1
Singh, V.P.2
Dubey, R.3
Puerta, C.4
Valerga, P.5
Verma, R.6
-
86
-
-
80455130079
-
Polarized IR spectra of the hydrogen bond in two different oxindole polymorphs with cyclic dimers in their lattices
-
Flakus, H.T.; Hachła, B. Polarized IR spectra of the hydrogen bond in two different oxindole polymorphs with cyclic dimers in their lattices. J. Phys. Chem. A 2011, 115, 12150-12160.
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 12150-12160
-
-
Flakus, H.T.1
Hachła, B.2
-
87
-
-
84881108692
-
A new conformational polymorph of N-acetyl-L-cysteine. The role of S-H···O and C-H···O interactions
-
Kumar, S.S.; Nangia, A. A new conformational polymorph of N-acetyl-L-cysteine. The role of S-H···O and C-H···O interactions. CrystEngComm 2013, 15, 6498-6505.
-
(2013)
CrystEngComm
, vol.15
, pp. 6498-6505
-
-
Kumar, S.S.1
Nangia, A.2
-
88
-
-
28844471349
-
The predictably elusive form II of aspirin
-
Vishweshwar, P.; McMahon, J.A.; Oliveira, M.; Peterson, M.L.; Zaworotko, M.J. The predictably elusive form II of aspirin. J. Am. Chem. Soc. 2005, 127, 16802-16803.
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 16802-16803
-
-
Vishweshwar, P.1
McMahon, J.A.2
Oliveira, M.3
Peterson, M.L.4
Zaworotko, M.J.5
-
89
-
-
0002026332
-
The crystal and molecular structure of aspirin
-
Wheatley, P.J. The crystal and molecular structure of aspirin. J. Chem. Soc. 1964, 6036-6048.
-
(1964)
J. Chem. Soc.
, pp. 6036-6048
-
-
Wheatley, P.J.1
-
90
-
-
84856480650
-
Unveiling the shape of aspirin in the gas phase
-
Cabezas, C.; Alonso, J.L.; López, J.C.; Mata, S. Unveiling the shape of aspirin in the gas phase. Angew. Chem. Int. Ed. 2012, 51, 1375-1378.
-
(2012)
Angew. Chem. Int. Ed.
, vol.51
, pp. 1375-1378
-
-
Cabezas, C.1
Alonso, J.L.2
López, J.C.3
Mata, S.4
-
91
-
-
8844268399
-
Toward crystal structure prediction for conformationally flexible molecules: The headaches illustrated by aspirin
-
Ouvrard, C.; Price, S.L. Toward crystal structure prediction for conformationally flexible molecules: The headaches illustrated by aspirin. Cryst. Growth Des. 2004, 4, 1119-1127.
-
(2004)
Cryst. Growth Des.
, vol.4
, pp. 1119-1127
-
-
Ouvrard, C.1
Price, S.L.2
-
92
-
-
33846509337
-
On the polymorphism of aspirin
-
Bond, A.D.; Boese, R.; Desiraju, G.R. On the polymorphism of aspirin. Angew. Chem. Int. Ed. 2007, 46, 615-617.
-
(2007)
Angew. Chem. Int. Ed.
, vol.46
, pp. 615-617
-
-
Bond, A.D.1
Boese, R.2
Desiraju, G.R.3
-
93
-
-
33846505562
-
On the polymorphism of aspirin: Crystalline aspirin as intergrowths of two-polymorphic{norm of matrix} domains
-
Bond, A.D.; Boese, R.; Desiraju, G.R. On the polymorphism of aspirin: Crystalline aspirin as intergrowths of two-polymorphic{norm of matrix} domains. Angew. Chem. Int. Ed. 2007, 46, 618-622.
-
(2007)
Angew. Chem. Int. Ed.
, vol.46
, pp. 618-622
-
-
Bond, A.D.1
Boese, R.2
Desiraju, G.R.3
-
94
-
-
84860487975
-
Accidental degeneracy in crystalline aspirin: New insights from high-level ab initio calculations
-
Wen, S.; Beran, G.J.O. Accidental degeneracy in crystalline aspirin: New insights from high-level ab initio calculations. Cryst. Growth Des. 2012, 12, 2169-2172.
-
(2012)
Cryst. Growth Des.
, vol.12
, pp. 2169-2172
-
-
Wen, S.1
Beran, G.J.O.2
-
95
-
-
84874867275
-
Twisted aspirin crystals
-
Cui, X.; Rohl, A.L.; Shtukenberg, A.; Kahr, B. Twisted aspirin crystals. J. Am. Chem. Soc. 2013, 135, 3395-3398.
-
(2013)
J. Am. Chem. Soc.
, vol.135
, pp. 3395-3398
-
-
Cui, X.1
Rohl, A.L.2
Shtukenberg, A.3
Kahr, B.4
-
96
-
-
84861931856
-
History of far-infrared research. I. The Rubens era
-
Palik, E.D. History of far-infrared research. I. The Rubens era. J. Opt. Soc. Am. 1977, 67, 857-865.
-
(1977)
J. Opt. Soc. Am.
, vol.67
, pp. 857-865
-
-
Palik, E.D.1
-
97
-
-
84868616391
-
History of far-infrared research. II. The grating era, 1925-1960
-
Grinsburg, N. History of far-infrared research. II. The grating era, 1925-1960. J. Opt. Soc. Am. 1977, 67, 865-871.
-
(1977)
J. Opt. Soc. Am.
, vol.67
, pp. 865-871
-
-
Grinsburg, N.1
-
98
-
-
0023962273
-
Subpicosecond photoconducting dipole antennas
-
Smith, P.R.; Auston, D.H.; Nuss, M.C. Subpicosecond photoconducting dipole antennas. IEEE J. Quant. Electron. 1988, 24, 255-260.
-
(1988)
IEEE J. Quant. Electron.
, vol.24
, pp. 255-260
-
-
Smith, P.R.1
Auston, D.H.2
Nuss, M.C.3
-
100
-
-
0001048146
-
Molecular interactions and hydrogen bond tunneling dynamics: Some new perspectives
-
Saykally, R.J.; Blake, G.A. Molecular interactions and hydrogen bond tunneling dynamics: Some new perspectives. Science 1993, 259, 1570-1575.
-
(1993)
Science
, vol.259
, pp. 1570-1575
-
-
Saykally, R.J.1
Blake, G.A.2
-
102
-
-
0042910364
-
Far-infrared vibrational spectra of all-trans, 9-cis and 13-cis retinal measured by THz time-domain spectroscopy
-
Walther, M.; Fischer, B.; Schall, M.; Helm, H.; Jepsen, P.U. Far-infrared vibrational spectra of all-trans, 9-cis and 13-cis retinal measured by THz time-domain spectroscopy. Chem. Phys. Lett. 2000, 332, 389-395.
-
(2000)
Chem. Phys. Lett.
, vol.332
, pp. 389-395
-
-
Walther, M.1
Fischer, B.2
Schall, M.3
Helm, H.4
Jepsen, P.U.5
-
103
-
-
0001894533
-
Pulsed terahertz spectroscopy of DNA, bovine serum albumin and collagen between 0.1 and 2.0 THz
-
Markelz, A.G.; Roitberg, A.; Heilweil, E.J. Pulsed terahertz spectroscopy of DNA, bovine serum albumin and collagen between 0.1 and 2.0 THz. Chem. Phys. Lett. 2000, 320, 42-48.
-
(2000)
Chem. Phys. Lett.
, vol.320
, pp. 42-48
-
-
Markelz, A.G.1
Roitberg, A.2
Heilweil, E.J.3
-
105
-
-
0018504791
-
On the problem of direct observation of H-bridge interactions in polymers by FIR spectroscopy
-
Frank, W.F.X.; Fiedler, H. On the problem of direct observation of H-bridge interactions in polymers by FIR spectroscopy. Infrared Phys. 1979, 19, 481-489.
-
(1979)
Infrared Phys.
, vol.19
, pp. 481-489
-
-
Frank, W.F.X.1
Fiedler, H.2
-
106
-
-
0024680480
-
Far-infrared study of hydrogen bonding in semicrystalline polyurethane
-
Shen, D.Y.; Pollack, S.K.; Hsu, S.L. Far-infrared study of hydrogen bonding in semicrystalline polyurethane. Macromolecules 1989, 22, 2564-2569.
-
(1989)
Macromolecules
, vol.22
, pp. 2564-2569
-
-
Shen, D.Y.1
Pollack, S.K.2
Hsu, S.L.3
-
107
-
-
79955686568
-
Intermolecular vibrational modes and orientational dynamics of cooperative hydrogen-bonding dimer of 7-azaindole in solution
-
doi:10.1063/1.3583642
-
Kato, T.; Shirota, H. Intermolecular vibrational modes and orientational dynamics of cooperative hydrogen-bonding dimer of 7-azaindole in solution. J. Chem. Phys. 2011, 134, doi:10.1063/1.3583642.
-
(2011)
J. Chem. Phys.
, vol.134
-
-
Kato, T.1
Shirota, H.2
-
108
-
-
0001615336
-
X-ray analysis of the structure of water
-
Morgan, J.; Warren, B.E. X-ray analysis of the structure of water. J. Chem. Phys. 1938, 6, 666-673.
-
(1938)
J. Chem. Phys.
, vol.6
, pp. 666-673
-
-
Morgan, J.1
Warren, B.E.2
-
109
-
-
19444375458
-
Structure of water
-
doi:10.1063/1.1700931
-
Brady, G.W.; Romanow, W.J. Structure of water. J. Chem. Phys. 1960, 32, doi:10.1063/1.1700931.
-
(1960)
J. Chem. Phys.
, vol.32
-
-
Brady, G.W.1
Romanow, W.J.2
-
112
-
-
36849125881
-
Raman spectral studies of water structure
-
Walrafen, G.E. Raman spectral studies of water structure. J. Chem. Phys. 1964, 40, 3249-3256.
-
(1964)
J. Chem. Phys.
, vol.40
, pp. 3249-3256
-
-
Walrafen, G.E.1
-
113
-
-
33746614482
-
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
-
Dunning, T.H., Jr. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen. J. Chem. Phys. 1989, 90, 1007-1023.
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1007-1023
-
-
Dunning Jr., T.H.1
-
114
-
-
3843146349
-
Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon
-
Woon, D.E.; Dunning, T.H., Jr. Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon. J. Chem. Phys. 1993, 98, 1358-1371.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1358-1371
-
-
Woon, D.E.1
Dunning Jr., T.H.2
-
115
-
-
20544433165
-
Van der Waals volumes and radii
-
Bondi, A. Van der Waals volumes and radii. J. Phys. Chem. 1964, 68, 441-451.
-
(1964)
J. Phys. Chem.
, vol.68
, pp. 441-451
-
-
Bondi, A.1
-
116
-
-
49549167756
-
Structural studies of polyesters: 5. Molecular and crystal structures of optically active and racemic poly(β-hydroxybutyrate)
-
Yokouchi, M.; Chatani, Y.; Tadokoro, H.; Teranishi, K.; Tani, H. Structural studies of polyesters: 5. Molecular and crystal structures of optically active and racemic poly(β-hydroxybutyrate). Polymer 1973, 14, 267-272.
-
(1973)
Polymer
, vol.14
, pp. 267-272
-
-
Yokouchi, M.1
Chatani, Y.2
Tadokoro, H.3
Teranishi, K.4
Tani, H.5
-
117
-
-
33748531815
-
Microbeam X-ray diffraction and enzymatic degradation of poly[(R)-3-hydroxybutyrate] fibers with two kinds of molecular conformations
-
Iwata, T.; Aoyagi, Y.; Tanaka, T.; Fujita, M.; Takeuchi, A.; Suzuki, Y.; Uesugi, K. Microbeam X-ray diffraction and enzymatic degradation of poly[(R)-3-hydroxybutyrate] fibers with two kinds of molecular conformations. Macromolecules 2006, 39, 5789-5795.
-
(2006)
Macromolecules
, vol.39
, pp. 5789-5795
-
-
Iwata, T.1
Aoyagi, Y.2
Tanaka, T.3
Fujita, M.4
Takeuchi, A.5
Suzuki, Y.6
Uesugi, K.7
-
118
-
-
84874140394
-
Quantum mechanical interpretation of intermolecular vibrational modes of crystalline poly-(R)-3-hydroxybutyrate observed in low-frequency Raman and terahertz spectra
-
Yamamoto, S.; Morisawa, Y.; Sato, H.; Hoshina, H.; Ozaki, Y. Quantum mechanical interpretation of intermolecular vibrational modes of crystalline poly-(R)-3-hydroxybutyrate observed in low-frequency Raman and terahertz spectra. J. Phys. Chem. B 2013, 117, 2180-2187.
-
(2013)
J. Phys. Chem. B
, vol.117
, pp. 2180-2187
-
-
Yamamoto, S.1
Morisawa, Y.2
Sato, H.3
Hoshina, H.4
Ozaki, Y.5
-
119
-
-
69949106912
-
Interpretation of temperature-dependent low frequency vibrational spectrum of solid-state benzoic acid dimer
-
Takahashi, M.; Kawazoe, Y.; Ishikawa, Y.; Ito, H. Interpretation of temperature-dependent low frequency vibrational spectrum of solid-state benzoic acid dimer. Chem. Phys. Lett. 2009, 479, 211-217.
-
(2009)
Chem. Phys. Lett.
, vol.479
, pp. 211-217
-
-
Takahashi, M.1
Kawazoe, Y.2
Ishikawa, Y.3
Ito, H.4
-
120
-
-
84862649716
-
Low-frequency vibrational modes of protic molten salts and ionic liquids: Detecting and quantifying hydrogen bonds
-
Fumino, K.; Reichert, E.; Wittler, K.; Hempelmann, R.; Ludwig, R. Low-frequency vibrational modes of protic molten salts and ionic liquids: Detecting and quantifying hydrogen bonds. Angew. Chem. Int. Ed. 2012, 51, 6236-6240.
-
(2012)
Angew. Chem. Int. Ed.
, vol.51
, pp. 6236-6240
-
-
Fumino, K.1
Reichert, E.2
Wittler, K.3
Hempelmann, R.4
Ludwig, R.5
-
121
-
-
0142052952
-
Solvent-free electrolytes with aqueous solution-like conductivities
-
Xu, W.; Angell, C.A. Solvent-free electrolytes with aqueous solution-like conductivities. Science 2003, 302, 422-425.
-
(2003)
Science
, vol.302
, pp. 422-425
-
-
Xu, W.1
Angell, C.A.2
-
123
-
-
37349076236
-
Parallel developments in aprotic and protic ionic liquids: Physical chemistry and applications
-
Angell, C.A.; Byrne, N.; Belieres, J.-P. Parallel developments in aprotic and protic ionic liquids: Physical chemistry and applications. Acc. Chem. Res. 2007, 40, 1228-1236.
-
(2007)
Acc. Chem. Res.
, vol.40
, pp. 1228-1236
-
-
Angell, C.A.1
Byrne, N.2
Belieres, J.-P.3
-
124
-
-
33846704746
-
Protic ionic liquids and iconicity
-
Nuthakki, B.; Greaves, T.L.; Krodkiewska, I.; Weerawardena, A.; Burgar, M.I.; Mulder, R.J.; Drummond, C.J. Protic ionic liquids and iconicity. Aust. J. Chem. 2007, 60, 21-28.
-
(2007)
Aust. J. Chem.
, vol.60
, pp. 21-28
-
-
Nuthakki, B.1
Greaves, T.L.2
Krodkiewska, I.3
Weerawardena, A.4
Burgar, M.I.5
Mulder, R.J.6
Drummond, C.J.7
-
125
-
-
38749084957
-
Protic ionic liquids: Properties and applications
-
Greaves, T.L.; Drummond, C.J. Protic ionic liquids: Properties and applications. Chem. Rev. 2008, 108, 206-237.
-
(2008)
Chem. Rev.
, vol.108
, pp. 206-237
-
-
Greaves, T.L.1
Drummond, C.J.2
-
126
-
-
70350067981
-
Hydrogen bonding in protic ionic liquids: Reminiscent of water
-
Fumino, K.; Wulf, A.; Ludwig, R. Hydrogen bonding in protic ionic liquids: Reminiscent of water. Angew. Chem. Int. Ed. 2009, 48, 3184-3186.
-
(2009)
Angew. Chem. Int. Ed.
, vol.48
, pp. 3184-3186
-
-
Fumino, K.1
Wulf, A.2
Ludwig, R.3
-
127
-
-
77957826557
-
Ionicity and proton transfer in protic ionic liquids
-
Stoimenovski, J.; Izgorodina, E.I.; MacFarlane, D.R. Ionicity and proton transfer in protic ionic liquids. Phys. Chem. Chem. Phys. 2010, 12, 10341-10347.
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 10341-10347
-
-
Stoimenovski, J.1
Izgorodina, E.I.2
McFarlane, D.R.3
-
128
-
-
80855134370
-
Structure of the molten salt methyl ammonium nitrate explored by experiments and theory
-
Bodo, E.; Postorino, P.; Mangialardo, S.; Piacente, G.; Ramondo, F.; Bosi, F.; Ballirano, P.; Caminiti, R. Structure of the molten salt methyl ammonium nitrate explored by experiments and theory. J. Phys. Chem. B 2011, 115, 13149-13161.
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 13149-13161
-
-
Bodo, E.1
Postorino, P.2
Mangialardo, S.3
Piacente, G.4
Ramondo, F.5
Bosi, F.6
Ballirano, P.7
Caminiti, R.8
-
129
-
-
77949607755
-
Communications: Polarity fluctuations of the protic ionic liquid ethylammonium nitrate in the terahertz regime
-
doi:10.1063/1.3352585
-
Krüger, M.; Bründermann, E.; Funkner, S.; Weingärtner, H.; Havenith, M. Communications: Polarity fluctuations of the protic ionic liquid ethylammonium nitrate in the terahertz regime. J. Chem. Phys. 2010, 132, doi:10.1063/1.3352585.
-
(2010)
J. Chem. Phys.
, vol.132
-
-
Krüger, M.1
Bründermann, E.2
Funkner, S.3
Weingärtner, H.4
Havenith, M.5
-
130
-
-
37049079218
-
Upon the structure of room temperature halogenoaluminate ionic liquids
-
Abdul-Sada, A.K.; Greenway, A.M.; Hitchcock, P.B.; Mohammed, T.J.; Seddon, K.R.; Zora, J.A. Upon the structure of room temperature halogenoaluminate ionic liquids. J. Chem. Soc. Chem. Commun. 1986, 1753-1754.
-
(1986)
J. Chem. Soc. Chem. Commun.
, pp. 1753-1754
-
-
Abdul-Sada, A.K.1
Greenway, A.M.2
Hitchcock, P.B.3
Mohammed, T.J.4
Seddon, K.R.5
Zora, J.A.6
-
131
-
-
73349111937
-
Spectroscopic evidence for an enhanced anion-cation interaction from hydrogen bonding in pure imidazolium ionic liquids
-
Wulf, A.; Fumino, K.; Ludwig, R. Spectroscopic evidence for an enhanced anion-cation interaction from hydrogen bonding in pure imidazolium ionic liquids. Angew. Chem. Int. Ed. 2010, 49, 449-453.
-
(2010)
Angew. Chem. Int. Ed.
, vol.49
, pp. 449-453
-
-
Wulf, A.1
Fumino, K.2
Ludwig, R.3
-
132
-
-
53549132818
-
The cation-anion interaction in ionic liquids probed by far-infrared spectroscopy
-
Fumino, K.; Wulf, A.; Ludwig, R. The cation-anion interaction in ionic liquids probed by far-infrared spectroscopy. Angew. Chem. Int. Ed. 2008, 47, 3830-3834.
-
(2008)
Angew. Chem. Int. Ed.
, vol.47
, pp. 3830-3834
-
-
Fumino, K.1
Wulf, A.2
Ludwig, R.3
-
134
-
-
78650483429
-
The importance of hydrogen bonds for the structure of ionic liquids: Single-crystal X-ray diffraction and transmission and attenuated total reflection spectroscopy in the terahertz region
-
Roth, C.; Peppel, T.; Fumino, K.; Köckerling, M.; Ludwig, R. The importance of hydrogen bonds for the structure of ionic liquids: Single-crystal X-ray diffraction and transmission and attenuated total reflection spectroscopy in the terahertz region. Angew. Chem. Int. Ed. 2010, 49, 10221-10224.
-
(2010)
Angew. Chem. Int. Ed.
, vol.49
, pp. 10221-10224
-
-
Roth, C.1
Peppel, T.2
Fumino, K.3
Köckerling, M.4
Ludwig, R.5
-
135
-
-
22844442432
-
How well can new-generation density functional methods describe stacking interactions in biological systems?
-
Zhao, Y.; Truhlar, D.G. How well can new-generation density functional methods describe stacking interactions in biological systems? Phys. Chem. Chem. Phys. 2005, 7, 2701-2705.
-
(2005)
Phys. Chem. Chem. Phys.
, vol.7
, pp. 2701-2705
-
-
Zhao, Y.1
Truhlar, D.G.2
-
136
-
-
64649088867
-
Inter-molecular vibrational frequencies of doubly hydrogen-bonded complexes involving 2-pyridone: Reliability of few selected theoretical level of calculations
-
Hazra, M.K. Inter-molecular vibrational frequencies of doubly hydrogen-bonded complexes involving 2-pyridone: Reliability of few selected theoretical level of calculations. Chem. Phys. Lett. 2009, 473, 10-16.
-
(2009)
Chem. Phys. Lett.
, vol.473
, pp. 10-16
-
-
Hazra, M.K.1
-
137
-
-
34247528531
-
Performance of DFT/MPWB1K for stacking and H-bonding interactions
-
Dkhissi, A.; Blossey, R. Performance of DFT/MPWB1K for stacking and H-bonding interactions. Chem. Phys. Lett. 2007, 439, 35-39.
-
(2007)
Chem. Phys. Lett.
, vol.439
, pp. 35-39
-
-
Dkhissi, A.1
Blossey, R.2
-
138
-
-
22844449760
-
Anharmonic midinfrared vibrational spectra of benzoic acid monomer and dimer
-
doi:10.1063/1.1947191
-
Antony, J.; Helden, G.; Meijer, G.; Schmidt, B. Anharmonic midinfrared vibrational spectra of benzoic acid monomer and dimer. J. Chem. Phys. 2005, 123, doi:10.1063/1.1947191.
-
(2005)
J. Chem. Phys.
, vol.123
-
-
Antony, J.1
Helden, G.2
Meijer, G.3
Schmidt, B.4
-
139
-
-
11144296965
-
Low-frequency vibrational modes of riboflavin and related compounds
-
Takahashi, M.; Ishikawa, Y.; Nishizawa, J.; Ito, H. Low-frequency vibrational modes of riboflavin and related compounds. Chem. Phys. Lett. 2005, 401, 475-482.
-
(2005)
Chem. Phys. Lett.
, vol.401
, pp. 475-482
-
-
Takahashi, M.1
Ishikawa, Y.2
Nishizawa, J.3
Ito, H.4
-
140
-
-
70349764491
-
Investigation of (1R,2S)-(-)-ephedrine by cryogenic terahertz spectroscopy and solid-state density functional theory
-
Hakey, P.M.; Allis, D.G.; Hudson, M.R.; Ouellette, W.; Korter, T.M. Investigation of (1R,2S)-(-)-ephedrine by cryogenic terahertz spectroscopy and solid-state density functional theory. ChemPhysChem 2009, 10, 2434-2444.
-
(2009)
ChemPhysChem
, vol.10
, pp. 2434-2444
-
-
Hakey, P.M.1
Allis, D.G.2
Hudson, M.R.3
Ouellette, W.4
Korter, T.M.5
-
142
-
-
33744470857
-
Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs
-
Jurečka, P.; Šponer, J.; Černý, J.; Hobza, P. Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs. Phys. Chem. Chem. Phys. 2006, 8, 1985-1993.
-
(2006)
Phys. Chem. Chem. Phys.
, vol.8
, pp. 1985-1993
-
-
Jurečka, P.1
Šponer, J.2
Černý, J.3
Hobza, P.4
-
143
-
-
35248840947
-
The origin of deficiency of the supermolecule second-order Møller-Plesset approach for evaluating interaction energies
-
doi:10.1063/1.2795693
-
Cybulski, S.M.; Lytle, M.L. The origin of deficiency of the supermolecule second-order Møller-Plesset approach for evaluating interaction energies. J. Chem. Phys. 2007, 127, doi:10.1063/1.2795693.
-
(2007)
J. Chem. Phys.
, vol.127
-
-
Cybulski, S.M.1
Lytle, M.L.2
-
144
-
-
27344452533
-
Exchange-correlation functional with broad accuracy for metallic and nonmetallic compounds, kinetics and noncovalent interactions
-
Zhao, Y.; Schulz, N.E.; Truhlar, D.G. Exchange-correlation functional with broad accuracy for metallic and nonmetallic compounds, kinetics and noncovalent interactions. J. Chem. Phys. 2005, 123, 161103:1-161103:4.
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 1611031-1611034
-
-
Zhao, Y.1
Schulz, N.E.2
Truhlar, D.G.3
-
145
-
-
33646464890
-
Design of density functionals by combining the method of constraint satisfaction with parametrization for thermochemistry, thermochemical kinetics, and noncovalent interactions
-
Zhao, Y.; Schultz, N.E.; Truhlar, D.G. Design of density functionals by combining the method of constraint satisfaction with parametrization for thermochemistry, thermochemical kinetics, and noncovalent interactions. J. Chem. Theory Comput. 2006, 2, 364-382.
-
(2006)
J. Chem. Theory Comput.
, vol.2
, pp. 364-382
-
-
Zhao, Y.1
Schultz, N.E.2
Truhlar, D.G.3
-
146
-
-
43049141516
-
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: Two new functionals and systematic testing of four M06-class functionals and 12 other functionals
-
Zhao, Y.; Truhlar, D.G. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: Two new functionals and systematic testing of four M06-class functionals and 12 other functionals. Theor. Chem. Acc. 2008, 120, 215-241.
-
(2008)
Theor. Chem. Acc.
, vol.120
, pp. 215-241
-
-
Zhao, Y.1
Truhlar, D.G.2
-
147
-
-
40549127108
-
Density functionals with broad applicability in chemistry
-
Zhao, Y.; Truhlar, D.G. Density functionals with broad applicability in chemistry. Acc. Chem. Res. 2008, 41, 157-167.
-
(2008)
Acc. Chem. Res.
, vol.41
, pp. 157-167
-
-
Zhao, Y.1
Truhlar, D.G.2
-
148
-
-
77958602995
-
Theoretical study on the effect of intramolecular hydrogen bonding on OH stretching overtone decay lifetime of ethylene glycol, 1,3-propanediol, and 1,4-butanediol
-
Takahashi, K. Theoretical study on the effect of intramolecular hydrogen bonding on OH stretching overtone decay lifetime of ethylene glycol, 1,3-propanediol, and 1,4-butanediol. Phys. Chem. Chem. Phys. 2010, 12, 13950-13961.
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 13950-13961
-
-
Takahashi, K.1
-
149
-
-
77955665196
-
MP2, density functional theory, and molecular mechanical calculations of C-H···π and hydrogen bond interactions in a cellulose-binding module-cellulose model system
-
Mohamed, M.N.A.; Watts, H.D.; Guo, J.; Catchmark, J.M.; Kubicki, J.D. MP2, density functional theory, and molecular mechanical calculations of C-H···π and hydrogen bond interactions in a cellulose-binding module-cellulose model system. Carbohydrate Res. 2010, 345, 1741-1751.
-
(2010)
Carbohydrate Res.
, vol.345
, pp. 1741-1751
-
-
Mohamed, M.N.A.1
Watts, H.D.2
Guo, J.3
Catchmark, J.M.4
Kubicki, J.D.5
-
153
-
-
84860519543
-
Solid-state Raman spectra of non-centrosymmetric crystals-theoretical vs. experimental study towards an application in THz-regime
-
Ivanova, B.B. Solid-state Raman spectra of non-centrosymmetric crystals-theoretical vs. experimental study towards an application in THz-regime. J. Mol. Struct. 2012, 1016, 47-54.
-
(2012)
J. Mol. Struct.
, vol.1016
, pp. 47-54
-
-
Ivanova, B.B.1
-
154
-
-
84861430014
-
Microsolvation of the histamine monocation in aqueous solution: The effect on structure, hydrogen bonding ability and vibrational spectrum
-
Vianello, R.; Mavri, J. Microsolvation of the histamine monocation in aqueous solution: The effect on structure, hydrogen bonding ability and vibrational spectrum. New J. Chem. 2012, 36, 954-962.
-
(2012)
New J. Chem.
, vol.36
, pp. 954-962
-
-
Vianello, R.1
Mavri, J.2
-
155
-
-
84867621126
-
Hydrogen-bonding thiourea organocatalysts: The privileged 3,5-bis(trifluoromethy)phenyl group
-
Lippert, K.M.; Hof, K.; Gerbig, D.; Ley, D.; Hausmann, H.; Guenther, S.; Schreiner, P.R. Hydrogen-bonding thiourea organocatalysts: The privileged 3,5-bis(trifluoromethy)phenyl group. Eur. J. Org. Chem. 2012, 2012, 5919-5927.
-
(2012)
Eur. J. Org. Chem.
, vol.2012
, pp. 5919-5927
-
-
Lippert, K.M.1
Hof, K.2
Gerbig, D.3
Ley, D.4
Hausmann, H.5
Guenther, S.6
Schreiner, P.R.7
-
156
-
-
84870952489
-
Formation of water polyhedrons in propofol-water clusters
-
León, I.; Cocinero, E.J.; Rijs, A.M.; Millán, J.; Alonso, E.; Lesarri, A.; Fernández, J.A. Formation of water polyhedrons in propofol-water clusters. Phys. Chem. Chem. Phys. 2013, 15, 568-575.
-
(2013)
Phys. Chem. Chem. Phys.
, vol.15
, pp. 568-575
-
-
León, I.1
Cocinero, E.J.2
Rijs, A.M.3
Millán, J.4
Alonso, E.5
Lesarri, A.6
Fernández, J.A.7
-
157
-
-
84882294612
-
n, n = 1-3
-
n, n = 1-3. J. Phys. Chem. A 2013, 117, 7523-7534.
-
(2013)
J. Phys. Chem. A
, vol.117
, pp. 7523-7534
-
-
Blaser, S.1
Ottiger, P.2
Frey, H.-M.3
Leutwyler, S.4
-
158
-
-
84873906113
-
Conformational study of Z-Glu-OH and Z-Arg-OH: Dispersion interactions versus conventional hydrogen bonding
-
Jaeqx, S.; Du, W.; Meijer, E.J.; Oomens, J.; Rijs, A.M. Conformational study of Z-Glu-OH and Z-Arg-OH: Dispersion interactions versus conventional hydrogen bonding. J. Phys. Chem. A 2013, 117, 1216-1227.
-
(2013)
J. Phys. Chem. A
, vol.117
, pp. 1216-1227
-
-
Jaeqx, S.1
Du, W.2
Meijer, E.J.3
Oomens, J.4
Rijs, A.M.5
-
160
-
-
0042113153
-
Self-consistent equations including exchange and correlation effects
-
Kohn, W.; Sham, L.J. Self-consistent equations including exchange and correlation effects. Phys. Rev. A 1965, 140, 1133-1138.
-
(1965)
Phys. Rev. A
, vol.140
, pp. 1133-1138
-
-
Kohn, W.1
Sham, L.J.2
-
163
-
-
33750559983
-
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
-
Grimme, S. Semiempirical GGA-type density functional constructed with a long-range dispersion correction. J. Comput. Chem. 2006, 27, 1787-1799.
-
(2006)
J. Comput. Chem.
, vol.27
, pp. 1787-1799
-
-
Grimme, S.1
-
164
-
-
77951680464
-
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
-
doi:10.1063/1.3382344
-
Grimme, S.; Antony, J.; Ehrlich, S.; Krieg, H. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. J. Chem. Phys. 2010, 132, doi:10.1063/1.3382344.
-
(2010)
J. Chem. Phys.
, vol.132
-
-
Grimme, S.1
Antony, J.2
Ehrlich, S.3
Krieg, H.4
-
165
-
-
61349180195
-
Accurate molecular van der Waals interactions from ground-state electron density and free-atom reference data
-
doi:10.1103/ PhysRevLett.102.073005
-
Tkatchenko, A.; Scheffler, M. Accurate molecular van der Waals interactions from ground-state electron density and free-atom reference data. Phys. Rev. Lett. 2009, 102, doi:10.1103/ PhysRevLett.102.073005.
-
(2009)
Phys. Rev. Lett.
, vol.102
-
-
Tkatchenko, A.1
Scheffler, M.2
-
166
-
-
77953814353
-
Two-and three-body interatomic dispersion energy contributions to binding in molecules and solids
-
doi:10.1063/1.3432765
-
Lilienfeld, O.A.; Tkatchenko, A. Two-and three-body interatomic dispersion energy contributions to binding in molecules and solids. J. Chem. Phys. 2010, 132, doi:10.1063/1.3432765.
-
(2010)
J. Chem. Phys.
, vol.132
-
-
Lilienfeld, O.A.1
Tkatchenko, A.2
-
167
-
-
84859600864
-
An assessment of the vdW-TS method for extended systems
-
Al-Saidi, W.A.; Voora, V.K.; Jordan, K.D. An assessment of the vdW-TS method for extended systems. J. Chem. Theory Comput. 2012, 8, 1503-1513.
-
(2012)
J. Chem. Theory Comput.
, vol.8
, pp. 1503-1513
-
-
Al-Saidi, W.A.1
Voora, V.K.2
Jordan, K.D.3
-
168
-
-
79960954694
-
Comparison of the performance of dispersion-corrected density functional theory for weak hydrogen bonds
-
Hujo, W.; Grimme, S. Comparison of the performance of dispersion-corrected density functional theory for weak hydrogen bonds. Phys. Chem. Chem. Phys. 2011, 13, 13942-13950.
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 13942-13950
-
-
Hujo, W.1
Grimme, S.2
-
169
-
-
54949109832
-
B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals
-
Civalleri, B.; Zicovich-Wilson, C.M.; Valenzano, L.; Ugliengo, P. B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals. CrystEngComm 2008, 10, 1693-1694.
-
(2008)
CrystEngComm
, vol.10
, pp. 1693-1694
-
-
Civalleri, B.1
Zicovich-Wilson, C.M.2
Valenzano, L.3
Ugliengo, P.4
-
170
-
-
79951902690
-
Application of London-type dispersion corrections to the solid-state density functional theory simulation of the terahertz spectra of crystalline pharmaceuticals
-
King, M.D.; Buchanan, W.D.; Korter, T.M. Application of London-type dispersion corrections to the solid-state density functional theory simulation of the terahertz spectra of crystalline pharmaceuticals. Phys. Chem. Chem. Phys. 2011, 13, 4250-4259.
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 4250-4259
-
-
King, M.D.1
Buchanan, W.D.2
Korter, T.M.3
-
171
-
-
79957950099
-
Application of London-type dispersion corrections in solid-state density functional theory for predicting the temperature-dependence of crystal structures and terahertz spectra
-
King, M.D.; Korter, T.M. Application of London-type dispersion corrections in solid-state density functional theory for predicting the temperature-dependence of crystal structures and terahertz spectra. Cryst. Growth Des. 2011, 11, 2006-2010.
-
(2011)
Cryst. Growth Des.
, vol.11
, pp. 2006-2010
-
-
King, M.D.1
Korter, T.M.2
-
172
-
-
80052188802
-
Noncovalent interactions in paired DNA nucleobases investigated by terahertz spectroscopy and solid-state density functional theory
-
King, M.D.; Ouellette, W.; Korter, T.M. Noncovalent interactions in paired DNA nucleobases investigated by terahertz spectroscopy and solid-state density functional theory. J. Phys. Chem. A 2011, 115, 9467-9478.
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 9467-9478
-
-
King, M.D.1
Ouellette, W.2
Korter, T.M.3
-
173
-
-
84858753495
-
The dispersion correction and weak-hydrogen-bond network in low-frequency vibration of solid-state salicylic acid
-
Takahashi, M.; Ishikawa, Y.; Ito, H. The dispersion correction and weak-hydrogen-bond network in low-frequency vibration of solid-state salicylic acid. Chem. Phys. Lett. 2012, 531, 98-104.
-
(2012)
Chem. Phys. Lett.
, vol.531
, pp. 98-104
-
-
Takahashi, M.1
Ishikawa, Y.2
Ito, H.3
-
174
-
-
84890543243
-
The errors in lattice energy minimisation studies: Sensitivity to experimental variations in the molecular structure of paracetamol
-
Beyer, T.; Price, S.L. The errors in lattice energy minimisation studies: Sensitivity to experimental variations in the molecular structure of paracetamol. CrystEngComm 2000, 34, 1-8.
-
(2000)
CrystEngComm
, vol.34
, pp. 1-8
-
-
Beyer, T.1
Price, S.L.2
-
175
-
-
84931507903
-
Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules. I. Theory
-
Pulay, P. Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules. I. Theory. Mol. Phys. 1969, 17, 197-204.
-
(1969)
Mol. Phys.
, vol.17
, pp. 197-204
-
-
Pulay, P.1
-
178
-
-
36549099158
-
Analytic evaluation and basis set dependence of intensities of infrared spectra
-
Yamaguchi, Y.; Frisch, M.; Gaw, J.; Schaefer, H.F., III.; Binkley, J.S. Analytic evaluation and basis set dependence of intensities of infrared spectra. J. Chem. Phys. 1986, 84, 2262-2278.
-
(1986)
J. Chem. Phys.
, vol.84
, pp. 2262-2278
-
-
Yamaguchi, Y.1
Frisch, M.2
Gaw, J.3
Schaefer III, H.F.4
Binkley, J.S.5
-
179
-
-
84873055189
-
-
1st ed.; Wiley-Interscience: New York, NY, USA
-
Hehre, W.J.; Radom, L.; Schleyer, P.R.; Pople, J. Ab Initio Molecular Orbital Theory, 1st ed.; Wiley-Interscience: New York, NY, USA, 1986.
-
(1986)
Ab Initio Molecular Orbital Theory
-
-
Hehre, W.J.1
Radom, L.2
Schleyer, P.R.3
Pople, J.4
-
180
-
-
77956318962
-
Investigating the anharmonicity of lattice vibrations in water-containing molecular crystals through the terahertz spectroscopy of L-serine monohydrate
-
King, M.D.; Buchanan, W.D.; Korter, T.M. Investigating the anharmonicity of lattice vibrations in water-containing molecular crystals through the terahertz spectroscopy of L-serine monohydrate. J. Phys. Chem. A 2010, 114, 9570-9578.
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 9570-9578
-
-
King, M.D.1
Buchanan, W.D.2
Korter, T.M.3
-
181
-
-
0004284003
-
-
Brittain, H.G., Ed.; Marcel Dekker: New York, NY, USA
-
Brittain, H.G. Polymorphism in Pharmaceutical Solids; Brittain, H.G., Ed.; Marcel Dekker: New York, NY, USA, 1999.
-
(1999)
Polymorphism in Pharmaceutical Solids
-
-
Brittain, H.G.1
-
182
-
-
33646804135
-
2 (X = F, Cl, Br)
-
2 (X = F, Cl, Br). Chem. Phys. 2006, 324, 359-366.
-
(2006)
Chem. Phys.
, vol.324
, pp. 359-366
-
-
Kowal, A.T.1
-
184
-
-
33845669873
-
2 investigated by means of anharmonic force fields
-
2 investigated by means of anharmonic force fields. Chem. Phys. 2007, 331, 438-446.
-
(2007)
Chem. Phys.
, vol.331
, pp. 438-446
-
-
Petković, M.1
-
185
-
-
0004122931
-
-
2nd ed.; Sanders College Publishing: Fort Worth, TX, USA
-
Garrett, R.H.; Grisham, C.M. Biochemistry, 2nd ed.; Sanders College Publishing: Fort Worth, TX, USA, 1999.
-
(1999)
Biochemistry
-
-
Garrett, R.H.1
Grisham, C.M.2
-
186
-
-
0037425083
-
Temperature-dependent low-frequency vibrational spectra of purine and adenine
-
Shen, Y.C.; Upadhya, P.C.; Linfield, E.H.; Davies, A.G. Temperature-dependent low-frequency vibrational spectra of purine and adenine. Appl. Phys. Lett. 2003, 82, 2350-2352.
-
(2003)
Appl. Phys. Lett.
, vol.82
, pp. 2350-2352
-
-
Shen, Y.C.1
Upadhya, P.C.2
Linfield, E.H.3
Davies, A.G.4
-
187
-
-
0037097511
-
Modelling molecular vibrations in extended hydrogen-bonded networks-Crystalline bases of RNA and DNA and the nucleosides
-
Plazanet, M.; Fukushima, N.; Johnson, M.R. Modelling molecular vibrations in extended hydrogen-bonded networks-Crystalline bases of RNA and DNA and the nucleosides. Chem. Phys. 2002, 280, 53-70.
-
(2002)
Chem. Phys.
, vol.280
, pp. 53-70
-
-
Plazanet, M.1
Fukushima, N.2
Johnson, M.R.3
-
188
-
-
0037050571
-
Surface-enhanced Raman spectroscopic and density functional theory study of adenine adsorption to silver surfaces
-
Giese, B.; McNaughton, D. Surface-enhanced Raman spectroscopic and density functional theory study of adenine adsorption to silver surfaces. J. Phys. Chem. B 2002, 106, 101-112.
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 101-112
-
-
Giese, B.1
McNaughton, D.2
-
190
-
-
0034333094
-
Analysis of the structural and vibrational properties of RNA building blocks by means of neutron inelastic scattering and density functional theory calculations
-
Gaigeot, M.-P.; Leulliot, N.; Ghomi, M.; Jobic, H.; Coulombeau, C.; Bouloussa, O. Analysis of the structural and vibrational properties of RNA building blocks by means of neutron inelastic scattering and density functional theory calculations. Chem. Phys. 2000, 261, 217-237.
-
(2000)
Chem. Phys.
, vol.261
, pp. 217-237
-
-
Gaigeot, M.-P.1
Leulliot, N.2
Ghomi, M.3
Jobic, H.4
Coulombeau, C.5
Bouloussa, O.6
-
191
-
-
75249091914
-
The temperature-dependent hydrogen-bonding signature of lipids monitored in the far-infrared domain
-
Hielscher, R.; Hellwig, P. The temperature-dependent hydrogen-bonding signature of lipids monitored in the far-infrared domain. ChemPhysChem 2010, 11, 435-441.
-
(2010)
ChemPhysChem
, vol.11
, pp. 435-441
-
-
Hielscher, R.1
Hellwig, P.2
-
192
-
-
33748681922
-
Low-frequency vibrations of crystalline α, α-trehalose dihydrate
-
Takahashi, M.; Kawazoe, Y.; Ishikawa, Y.; Ito, H. Low-frequency vibrations of crystalline α, α-trehalose dihydrate. Chem. Phys. Lett. 2006, 429, 371-377.
-
(2006)
Chem. Phys. Lett.
, vol.429
, pp. 371-377
-
-
Takahashi, M.1
Kawazoe, Y.2
Ishikawa, Y.3
Ito, H.4
-
193
-
-
33751289471
-
Angle-dependent terahertz time-domain spectroscopy of amino acid single crystals
-
Rungsawang, R.; Ueno, Y.; Tomita, I.; Ajito, K. Angle-dependent terahertz time-domain spectroscopy of amino acid single crystals. J. Phys. Chem. B 2006, 110, 21259-21263.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 21259-21263
-
-
Rungsawang, R.1
Ueno, Y.2
Tomita, I.3
Ajito, K.4
-
194
-
-
68949201646
-
Polarization orientation dependence of the far infrared spectra of oriented single crystals of 1,3,5-trinitro-S-triazine (RDX) using terahertz time-domain spectroscopy
-
Whitley, V.H.; Hooks, D.E.; Ramos, K.J.; O'Hara, J.F.; Azad, A.K.; Taylor, A.J.; Barber, J.; Averitt, R.D. Polarization orientation dependence of the far infrared spectra of oriented single crystals of 1,3,5-trinitro-S-triazine (RDX) using terahertz time-domain spectroscopy. Anal. Bioanal. Chem. 2009, 395, 315-322.
-
(2009)
Anal. Bioanal. Chem.
, vol.395
, pp. 315-322
-
-
Whitley, V.H.1
Hooks, D.E.2
Ramos, K.J.3
O'Hara, J.F.4
Azad, A.K.5
Taylor, A.J.6
Barber, J.7
Averitt, R.D.8
-
195
-
-
79955598023
-
Polarization and temperature dependent spectra of poly(3-hydroxyalkanoate)s measured at terahertz frequencies
-
Hoshina, H.; Morisawa, Y.; Sato, H.; Minamide, H.; Noda, I.; Ozaki, Y.; Otani, C. Polarization and temperature dependent spectra of poly(3-hydroxyalkanoate)s measured at terahertz frequencies. Phys. Chem. Chem. Phys. 2011, 13, 9173-9179.
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 9173-9179
-
-
Hoshina, H.1
Morisawa, Y.2
Sato, H.3
Minamide, H.4
Noda, I.5
Ozaki, Y.6
Otani, C.7
-
196
-
-
36048932382
-
High-resolution waveguide terahertz spectroscopy of partially oriented organic polycrystalline films
-
Melinger, J.S.; Laman, N.; Harsha, S.S.; Cheng, S.; Grischkowsky, D. High-resolution waveguide terahertz spectroscopy of partially oriented organic polycrystalline films. J. Phys. Chem. A 2007, 111, 10977-10987.
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 10977-10987
-
-
Melinger, J.S.1
Laman, N.2
Harsha, S.S.3
Cheng, S.4
Grischkowsky, D.5
-
197
-
-
41149083682
-
Narrow-line waveguide terahertz time-domain spectroscopy of aspirin and aspirin precursors
-
Laman, N.; Harsha, S.S.; Grischkowsky, D. Narrow-line waveguide terahertz time-domain spectroscopy of aspirin and aspirin precursors. Appl. Spectrosc. 2008, 62, 319-326.
-
(2008)
Appl. Spectrosc.
, vol.62
, pp. 319-326
-
-
Laman, N.1
Harsha, S.S.2
Grischkowsky, D.3
-
198
-
-
47249158486
-
The underlying terahertz vibrational spectrum of explosive solids
-
doi:10.1063/1.2949068
-
Melinger, J.S.; Laman, N.; Grischkowsky, D. The underlying terahertz vibrational spectrum of explosive solids. Appl. Phys. Lett. 2008, 93, doi:10.1063/1.2949068.
-
(2008)
Appl. Phys. Lett.
, vol.93
-
-
Melinger, J.S.1
Laman, N.2
Grischkowsky, D.3
|