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Volumn 4, Issue 2, 2014, Pages 74-103

Terahertz vibrations and hydrogen-bonded networks in crystals

Author keywords

Dispersion correction; First principles calculations; Terahertz spectroscopy; Weak hydrogen bond

Indexed keywords


EID: 84901345403     PISSN: None     EISSN: 20734352     Source Type: Journal    
DOI: 10.3390/cryst4020074     Document Type: Review
Times cited : (80)

References (198)
  • 1
    • 0034291275 scopus 로고    scopus 로고
    • 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
  • 3
    • 70350334744 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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
  • 10
    • 0043238665 scopus 로고    scopus 로고
    • 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
  • 12
    • 84867039056 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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
  • 17
    • 84883384319 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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
  • 21
    • 55749100654 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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
  • 25
    • 84891135144 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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
  • 32
    • 32044439843 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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
  • 35
    • 77956805396 scopus 로고    scopus 로고
    • 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
  • 36
  • 37
    • 84895060809 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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
  • 41
    • 0031168969 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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
  • 46
    • 77950844785 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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
  • 62
    • 37049075067 scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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
  • 65
    • 31144478947 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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
  • 76
    • 65949088359 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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
  • 83
    • 72249083568 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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
  • 86
    • 80455130079 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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
  • 89
    • 0002026332 scopus 로고
    • 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
  • 91
    • 8844268399 scopus 로고    scopus 로고
    • 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
  • 93
    • 33846505562 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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
  • 96
    • 84861931856 scopus 로고
    • 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 scopus 로고
    • 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
  • 100
    • 0001048146 scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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
  • 125
    • 38749084957 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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
  • 129
    • 77949607755 scopus 로고    scopus 로고
    • 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
  • 131
    • 73349111937 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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
  • 151
  • 153
    • 84860519543 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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
  • 158
    • 84873906113 scopus 로고    scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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
  • 180
    • 77956318962 scopus 로고    scopus 로고
    • 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
  • 182
    • 33646804135 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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


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