-
3
-
-
0000493589
-
Anti-Hydrogen Bond between Chloroform and Fluorobenzene
-
Hobza, P.; Spirko, V.; Havlas, Z.; Buchhold, K.; Reimann, B.; Barth, H. D.; Brutschy, B. Anti-Hydrogen Bond between Chloroform and Fluorobenzene Chem. Phys. Lett. 1999, 299, 180-186
-
(1999)
Chem. Phys. Lett.
, vol.299
, pp. 180-186
-
-
Hobza, P.1
Spirko, V.2
Havlas, Z.3
Buchhold, K.4
Reimann, B.5
Barth, H.D.6
Brutschy, B.7
-
5
-
-
56349153123
-
Experimental Evidence of O-H-S Hydrogen Bonding in Supersonic Jet
-
Biswal, H. S.; Chakraborty, S.; Wategaonkar, S. Experimental Evidence of O-H-S Hydrogen Bonding in Supersonic Jet J. Chem. Phys. 2008, 129, 184311
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 184311
-
-
Biswal, H.S.1
Chakraborty, S.2
Wategaonkar, S.3
-
6
-
-
70449591226
-
Sulfur, Not Too Far behind O, N, and C: SH⋯π Hydrogen Bond
-
Biswal, H. S.; Wategaonkar, S. Sulfur, Not Too Far Behind O, N, and C: SH⋯π Hydrogen Bond J. Phys. Chem. A 2009, 113, 12774-12782
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 12774-12782
-
-
Biswal, H.S.1
Wategaonkar, S.2
-
7
-
-
84858641586
-
Strength of NH⋯S Hydrogen Bonds in Methionine Residues Revealed by Gas-Phase IR/UV Spectroscopy
-
Biswal, H. S.; Gloaguen, E.; Loquais, Y.; Tardivel, B.; Mons, M. Strength of NH⋯S Hydrogen Bonds in Methionine Residues Revealed by Gas-Phase IR/UV Spectroscopy J. Phys. Chem. Lett. 2012, 3, 755-759
-
(2012)
J. Phys. Chem. Lett.
, vol.3
, pp. 755-759
-
-
Biswal, H.S.1
Gloaguen, E.2
Loquais, Y.3
Tardivel, B.4
Mons, M.5
-
8
-
-
0242417008
-
Interactions with Aromatic Rings in Chemical and Biological Recognition
-
Meyer, E. A.; Castellano, R. K.; Diederich, F. Interactions with Aromatic Rings in Chemical and Biological Recognition Angew. Chem., Int. Ed. 2003, 42, 1210-1250
-
(2003)
Angew. Chem., Int. Ed.
, vol.42
, pp. 1210-1250
-
-
Meyer, E.A.1
Castellano, R.K.2
Diederich, F.3
-
9
-
-
84863116816
-
π-Hydrogen Bonding Wins over Conventional Hydrogen Bonding Interaction: A Jet-Cooled Study of Indole⋯Furan Heterodimer
-
Kumar, S.; Pande, V.; Das, A. π-Hydrogen Bonding Wins over Conventional Hydrogen Bonding Interaction: A Jet-Cooled Study of Indole⋯Furan Heterodimer J. Phys. Chem. A 2012, 116, 1368-1374
-
(2012)
J. Phys. Chem. A
, vol.116
, pp. 1368-1374
-
-
Kumar, S.1
Pande, V.2
Das, A.3
-
10
-
-
84875460363
-
C-H⋯Y Hydrogen Bonds in the Complexes of p -Cresol and p -Cyanophenol with Fluoroform and Chloroform
-
Shirhatti, P. R.; Maity, D. K.; Wategaonkar, S. C-H⋯Y Hydrogen Bonds in the Complexes of p -Cresol and p -Cyanophenol with Fluoroform and Chloroform J. Phys. Chem. A 2013, 117, 2307-2316
-
(2013)
J. Phys. Chem. A
, vol.117
, pp. 2307-2316
-
-
Shirhatti, P.R.1
Maity, D.K.2
Wategaonkar, S.3
-
11
-
-
0034317323
-
Blue-Shifting Hydrogen Bonds
-
Hobza, P.; Havlas, Z. Blue-Shifting Hydrogen Bonds Chem. Rev. 2000, 100, 4253-4264
-
(2000)
Chem. Rev.
, vol.100
, pp. 4253-4264
-
-
Hobza, P.1
Havlas, Z.2
-
12
-
-
0036882786
-
Improper, Blue-Shifting Hydrogen Bond
-
Hobza, P.; Havlas, Z. Improper, Blue-Shifting Hydrogen Bond Theor. Chem. Acc. 2002, 108, 325-334
-
(2002)
Theor. Chem. Acc.
, vol.108
, pp. 325-334
-
-
Hobza, P.1
Havlas, Z.2
-
13
-
-
0035852131
-
The Nature of Improper, Blue-Shifting Hydrogen Bonding Verified Experimentally
-
van der Veken, B. J.; Herrebout, W. A.; Szostak, R.; Shchepkin, D. N.; Havlas, Z.; Hobza, P. The Nature of Improper, Blue-Shifting Hydrogen Bonding Verified Experimentally J. Am. Chem. Soc. 2001, 123, 12290-12293
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 12290-12293
-
-
Van Der Veken, B.J.1
Herrebout, W.A.2
Szostak, R.3
Shchepkin, D.N.4
Havlas, Z.5
Hobza, P.6
-
14
-
-
0037124737
-
2 complexes (X = F, Cl, Br, I): A Correlated Ab Initio Study
-
2 complexes (X = F, Cl, Br, I): A Correlated Ab Initio Study Chem. Phys. Chem. 2002, 3, 511-518
-
(2002)
Chem. Phys. Chem.
, vol.3
, pp. 511-518
-
-
Zierkiewicz, W.1
Michalska, D.2
Havlas, Z.3
Hobza, P.4
-
17
-
-
0037957336
-
Electronic Basis of Improper Hydrogen Bonding: A Subtle Balance of Hyperconjugation and Rehybridization
-
Alabugin, I. V.; Manoharan, M.; Peabody, S.; Weinhold, F. Electronic Basis of Improper Hydrogen Bonding: A Subtle Balance of Hyperconjugation and Rehybridization J. Am. Chem. Soc. 2003, 125, 5973-5987
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 5973-5987
-
-
Alabugin, I.V.1
Manoharan, M.2
Peabody, S.3
Weinhold, F.4
-
18
-
-
0029034436
-
Side-Chain Interactions between Sulfur-Containing Amino-Acids and Phenylalanine in α-Helices
-
Viguera, A. R.; Serrano, L. Side-Chain Interactions between Sulfur-Containing Amino-Acids and Phenylalanine in α-Helices Biochemistry 1995, 34, 8771-8779
-
(1995)
Biochemistry
, vol.34
, pp. 8771-8779
-
-
Viguera, A.R.1
Serrano, L.2
-
19
-
-
0035910278
-
Hydrogen Bonds with π-Acceptors in Proteins: Frequencies and Role in Stabilizing Local 3D Structures
-
Steiner, T.; Koellner, G. Hydrogen Bonds with π-Acceptors in Proteins: Frequencies and Role in Stabilizing Local 3D Structures J. Mol. Biol. 2001, 305, 535-557
-
(2001)
J. Mol. Biol.
, vol.305
, pp. 535-557
-
-
Steiner, T.1
Koellner, G.2
-
20
-
-
4243603416
-
FTIR Spectra of Dialkyl Sulfide and Alkanethiol Complexes with Hydrogen-Fluoride in Solid Argon
-
Andrews, L.; Arlinghaus, R. T.; Hunt, R. D. FTIR Spectra of Dialkyl Sulfide and Alkanethiol Complexes with Hydrogen-Fluoride in Solid Argon Inorg. Chem. 1986, 25, 3205-3209
-
(1986)
Inorg. Chem.
, vol.25
, pp. 3205-3209
-
-
Andrews, L.1
Arlinghaus, R.T.2
Hunt, R.D.3
-
21
-
-
0343062209
-
Matrix-Isolation Vibrational-Spectra of Alkyl Chalcogenides Complexed with HCl - Matrix-Isolation IR-Spectra as a Guide for the Analysis of Solution IR-Spectra of Alkyl Sulfide and Alkyl Selenide Complexes with HCl
-
Graindourze, M.; Maes, G. Matrix-Isolation Vibrational-Spectra of Alkyl Chalcogenides Complexed with HCl-Matrix-Isolation IR-Spectra as a Guide for the Analysis of Solution IR-Spectra of Alkyl Sulfide and Alkyl Selenide Complexes with HCl J. Mol. Spectrosc. 1985, 114, 97-104
-
(1985)
J. Mol. Spectrosc.
, vol.114
, pp. 97-104
-
-
Graindourze, M.1
Maes, G.2
-
22
-
-
46549096030
-
s-Band Structure of H-Bonded Complexes with HCl
-
s-Band Structure of H-Bonded Complexes with HCl J. Mol. Spectrosc. 1985, 114, 280-288
-
(1985)
J. Mol. Spectrosc.
, vol.114
, pp. 280-288
-
-
Maes, G.1
Graindourze, M.2
-
23
-
-
0345672393
-
Molecular-Complexes of Hydrogen Halides with Ethers and Sulfides Studied by Matrix-Isolation Vibrational Spectroscopy
-
Barnes, A. J.; Wright, M. P. Molecular-Complexes of Hydrogen Halides with Ethers and Sulfides Studied by Matrix-Isolation Vibrational Spectroscopy J. Mol. Struct.: THEOCHEM 1986, 28, 21-30
-
(1986)
J. Mol. Struct.: THEOCHEM
, vol.28
, pp. 21-30
-
-
Barnes, A.J.1
Wright, M.P.2
-
24
-
-
0000694665
-
Infrared Matrix-Isolation Studies of Hydrogen-Bonds Involving C-H Bonds - Alkenes with Selected Bases
-
Jeng, M. L. H.; Ault, B. S. Infrared Matrix-Isolation Studies of Hydrogen-Bonds Involving C-H Bonds-Alkenes with Selected Bases J. Phys. Chem. 1990, 94, 4851-4855
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 4851-4855
-
-
Jeng, M.L.H.1
Ault, B.S.2
-
25
-
-
0000456471
-
Infrared Matrix-Isolation Study of Hydrogen-Bonds Involving C-H Bonds - Alkynes with Bases Containing 2nd-Row and 3rd-Row Donor Atoms
-
Jeng, M. L. H.; Ault, B. S. Infrared Matrix-Isolation Study of Hydrogen-Bonds Involving C-H Bonds-Alkynes with Bases Containing 2nd-Row and 3rd-Row Donor Atoms J. Phys. Chem. 1990, 94, 1323-1327
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 1323-1327
-
-
Jeng, M.L.H.1
Ault, B.S.2
-
26
-
-
0007808034
-
FT-IR Spectra of Matrix-Isolated Complexes between Some Alkanethiols and Sulfur-Dioxide
-
Li, S.; Li, Y. S. FT-IR Spectra of Matrix-Isolated Complexes between Some Alkanethiols and Sulfur-Dioxide J. Mol. Struct. 1991, 248, 79-88
-
(1991)
J. Mol. Struct.
, vol.248
, pp. 79-88
-
-
Li, S.1
Li, Y.S.2
-
27
-
-
0007808033
-
Ftir Spectra of Matrix-Isolated Complexes between Sulfur-Compounds
-
Li, S.; Li, Y. S. Ftir Spectra of Matrix-Isolated Complexes between Sulfur-Compounds Spectrochim. Acta. A. 1991, 47, 201-209
-
(1991)
Spectrochim. Acta. A.
, vol.47
, pp. 201-209
-
-
Li, S.1
Li, Y.S.2
-
28
-
-
0034646188
-
Infrared Matrix Isolation Studies of Complexes formed between Dimethylsulfide, Dimethyldisulfide and Nitrous acid
-
Wierzejewska, M. Infrared Matrix Isolation Studies of Complexes formed between Dimethylsulfide, Dimethyldisulfide and Nitrous acid J. Mol. Struct. 2000, 520, 199-214
-
(2000)
J. Mol. Struct.
, vol.520
, pp. 199-214
-
-
Wierzejewska, M.1
-
29
-
-
0033737915
-
FTIR matrix isolation studies of complexes of Dimethylsulfide, Dimethyldisulfide and Hydrogen Sulfide with Nitric Acid
-
Wierzejewska, M. FTIR matrix isolation studies of complexes of Dimethylsulfide, Dimethyldisulfide and Hydrogen Sulfide with Nitric Acid Vib. Spectrosc. 2000, 23, 253-262
-
(2000)
Vib. Spectrosc.
, vol.23
, pp. 253-262
-
-
Wierzejewska, M.1
-
30
-
-
0036904083
-
2O Dimer
-
2O Dimer J. Chem. Phys. 2002, 117, 9766-9776
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 9766-9776
-
-
Arunan, E.1
Emilsson, T.2
Gutowsky, H.S.3
Fraser, G.T.4
De Oliveira, G.5
Dykstra, C.E.6
-
31
-
-
77954332246
-
O-H⋯O versus O-H⋯S Hydrogen Bonding. 2. Alcohols and Thiols as Hydrogen Bond Acceptors
-
Biswal, H. S.; Shirhatti, P. R.; Wategaonkar, S. O-H⋯O versus O-H⋯S Hydrogen Bonding. 2. Alcohols and Thiols as Hydrogen Bond Acceptors J. Phys. Chem. A 2010, 114, 6944-6955
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 6944-6955
-
-
Biswal, H.S.1
Shirhatti, P.R.2
Wategaonkar, S.3
-
33
-
-
80054715784
-
OH⋯X (X = O, S) Hydrogen Bonding in Tetrahydrofurane and Tetrahydrothiophene
-
Biswal, H. S.; Wategaonkar, S. OH⋯X (X = O, S) Hydrogen Bonding in Tetrahydrofurane and Tetrahydrothiophene J. Chem. Phys. 2011, 135, 134306
-
(2011)
J. Chem. Phys.
, vol.135
, pp. 134306
-
-
Biswal, H.S.1
Wategaonkar, S.2
-
34
-
-
77952397300
-
O-H⋯O versus O-H⋯S Hydrogen Bonding. 3. IR-UV Double Resonance Study of Hydrogen Bonded Complexes of p -Cresol with Diethyl Ether and Its Sulfur Analog
-
Biswal, H. S.; Wategaonkar, S. O-H⋯O versus O-H⋯S Hydrogen Bonding. 3. IR-UV Double Resonance Study of Hydrogen Bonded Complexes of p -Cresol with Diethyl Ether and Its Sulfur Analog J. Phys. Chem. A 2010, 114, 5947-5957
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 5947-5957
-
-
Biswal, H.S.1
Wategaonkar, S.2
-
35
-
-
70449574090
-
Nature of the N-H⋯S Hydrogen Bond
-
Biswal, H. S.; Wategaonkar, S. Nature of the N-H⋯S Hydrogen Bond J. Phys. Chem. A 2009, 113, 12763-12773
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 12763-12773
-
-
Biswal, H.S.1
Wategaonkar, S.2
-
36
-
-
77952105154
-
Hydrogen Bond Models and Theories: The Dual Hydrogen Bond Model and Its Consequences
-
Gilli, P.; Gilli, G. Hydrogen Bond Models and Theories: The Dual Hydrogen Bond Model and Its Consequences J. Mol. Struct. 2010, 972, 2-10
-
(2010)
J. Mol. Struct.
, vol.972
, pp. 2-10
-
-
Gilli, P.1
Gilli, G.2
-
37
-
-
0001472637
-
Infrared Spectroscopy of Hydrogen-Bonded Phenol-Amine Clusters in Supersonic Jets
-
Iwasaki, A.; Fujii, A.; Watanabe, T.; Ebata, T.; Mikami, N. Infrared Spectroscopy of Hydrogen-Bonded Phenol-Amine Clusters in Supersonic Jets J. Phys. Chem. 1996, 100, 16053-16057
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 16053-16057
-
-
Iwasaki, A.1
Fujii, A.2
Watanabe, T.3
Ebata, T.4
Mikami, N.5
-
40
-
-
0037461528
-
Vibronic Spectroscopy of the H-Bonded Aminophenol-Water Complex
-
Meenakshi, P. S.; Biswas, N.; Wategaonkar, S. Vibronic Spectroscopy of the H-Bonded Aminophenol-Water Complex J. Chem. Phys. 2002, 117, 11146-11151
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 11146-11151
-
-
Meenakshi, P.S.1
Biswas, N.2
Wategaonkar, S.3
-
41
-
-
64449085988
-
The HITRAN 2008 Molecular Spectroscopic Database
-
Rothman, L. S.; Gordon, I. E.; Barbe, A.; Benner, D. C.; Bernath, P. E.; Birk, M.; Boudon, V.; Brown, L. R.; Campargue, A.; Champion, J. P. The HITRAN 2008 Molecular Spectroscopic Database J. Quant. Spectrosc. Ra. 2009, 110, 533-572
-
(2009)
J. Quant. Spectrosc. Ra.
, vol.110
, pp. 533-572
-
-
Rothman, L.S.1
Gordon, I.E.2
Barbe, A.3
Benner, D.C.4
Bernath, P.E.5
Birk, M.6
Boudon, V.7
Brown, L.R.8
Campargue, A.9
Champion, J.P.10
-
42
-
-
70450206724
-
-
revision C.01; Gaussian, Inc. Wallingford, CT.
-
Frisch, M. J.; G. W. T.; Schlegel, H. B.; Scuseria, G. E.;; Robb, M. A.; J. R. C.; Scalmani, G.; Barone, V.; Mennucci, B.;; Petersson, G. A.; H. N.; Caricato, M.; Li, X.; Hratchian, H. P.,; Gaussian 09, revision C.01; Gaussian, Inc.: Wallingford, CT, 2010.
-
(2010)
Gaussian 09
-
-
Frisch, M.J.1
Schlegel, H.B.2
Scuseria, G.E.3
Robb, M.A.4
Scalmani, G.5
Barone, V.6
Mennucci, B.7
Petersson, G.A.8
Caricato, M.9
Li, X.10
Hratchian, H.P.11
-
43
-
-
55849117399
-
Long-Range Corrected Hybrid Density Functionals with Damped Atom-Atom Dispersion Corrections
-
Chai, J. D.; Head-Gordon, M. Long-Range Corrected Hybrid Density Functionals with Damped Atom-Atom Dispersion Corrections Phys. Chem. Chem. Phys. 2008, 10, 6615-6620
-
(2008)
Phys. Chem. Chem. Phys.
, vol.10
, pp. 6615-6620
-
-
Chai, J.D.1
Head-Gordon, M.2
-
44
-
-
33845753887
-
Assessment of a Long-Range Corrected Hybrid Functional
-
Vydrov, O. A.; Scuseria, G. E. Assessment of a Long-Range Corrected Hybrid Functional J. Chem. Phys. 2006, 125, 074106
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 074106
-
-
Vydrov, O.A.1
Scuseria, G.E.2
-
45
-
-
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
-
46
-
-
0003915529
-
-
Theoretical Chemistry Institute, University of Wisconsin: Madison, WI.
-
Glendening, E. D.; Badenhoop, J. K.; Reed, A. E.; Carpenter, J. E.; Bohmann, J. A.; Morales, C. M.; Weinhold, F. NBO 5.0; Theoretical Chemistry Institute, University of Wisconsin: Madison, WI, 2001.
-
(2001)
NBO 5.0
-
-
Glendening, E.D.1
Badenhoop, J.K.2
Reed, A.E.3
Carpenter, J.E.4
Bohmann, J.A.5
Morales, C.M.6
Weinhold, F.7
-
47
-
-
84883443010
-
-
AIM 2000, version 2.0 ed.
-
AIM 2000, version 2.0 ed., 2002.
-
(2002)
-
-
-
48
-
-
84893169025
-
General Atomic and Molecular Electronic-Structure System
-
Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. H.; Koseki, S.; Matsunaga, N.; Nguyen, K. A.; Su, S. J.; Windus, T. L.; Dupuis, M.; Montgomery, J. A. General Atomic and Molecular Electronic-Structure System J. Comput. Chem. 1993, 14, 1347-1363
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1347-1363
-
-
Schmidt, M.W.1
Baldridge, K.K.2
Boatz, J.A.3
Elbert, S.T.4
Gordon, M.S.5
Jensen, J.H.6
Koseki, S.7
Matsunaga, N.8
Nguyen, K.A.9
Su, S.J.10
Windus, T.L.11
Dupuis, M.12
Montgomery, J.A.13
-
50
-
-
2342464234
-
Mass Analyzed Threshold Ionization Spectroscopy of p -Fluorophenol Cation and the p -Fluoro Substitution Effect
-
Zhang, B.; Li, C. Y.; Su, H. W.; Lin, J. L.; Tzeng, W. B. Mass Analyzed Threshold Ionization Spectroscopy of p -Fluorophenol Cation and the p -Fluoro Substitution Effect Chem. Phys. Lett. 2004, 390, 65-70
-
(2004)
Chem. Phys. Lett.
, vol.390
, pp. 65-70
-
-
Zhang, B.1
Li, C.Y.2
Su, H.W.3
Lin, J.L.4
Tzeng, W.B.5
-
51
-
-
0030213155
-
Laser-induced Fluorescence Spectroscopy of Jet Cooled p -Aminophenol
-
Wategaonkar, S.; Doraiswamy, S. Laser-induced Fluorescence Spectroscopy of Jet Cooled p -Aminophenol J. Chem. Phys. 1996, 105, 1786-1797
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 1786-1797
-
-
Wategaonkar, S.1
Doraiswamy, S.2
-
52
-
-
34848825093
-
Zero Kinetic Energy Spectroscopy of Hydroquinone-Water (1:1) Complex: A Probe for Conformer Assignment
-
Chakraborty, S.; Misra, P.; Wategaonkar, S. Zero Kinetic Energy Spectroscopy of Hydroquinone-Water (1:1) Complex: A Probe for Conformer Assignment J. Chem. Phys. 2007, 127, 124317
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 124317
-
-
Chakraborty, S.1
Misra, P.2
Wategaonkar, S.3
-
54
-
-
0033095009
-
Autoionization-Detected Infrared Spectroscopy of Intramolecular Hydrogen Bonds in Aromatic Cations. I. Principle and Application to Fluorophenol and Methoxyphenol
-
Fujimaki, E.; Fujii, A.; Ebata, T.; Mikami, N. Autoionization-Detected Infrared Spectroscopy of Intramolecular Hydrogen Bonds in Aromatic Cations. I. Principle and Application to Fluorophenol and Methoxyphenol J. Chem. Phys. 1999, 110, 4238-4247
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 4238-4247
-
-
Fujimaki, E.1
Fujii, A.2
Ebata, T.3
Mikami, N.4
-
56
-
-
34547887248
-
Raman Jet Spectroscopy of Formic Acid Dimers: Low Frequency Vibrational Dynamics and beyond
-
Zielke, P.; Suhm, M. A. Raman Jet Spectroscopy of Formic Acid Dimers: Low Frequency Vibrational Dynamics and Beyond Phys. Chem. Chem. Phys. 2007, 9, 4528-4534
-
(2007)
Phys. Chem. Chem. Phys.
, vol.9
, pp. 4528-4534
-
-
Zielke, P.1
Suhm, M.A.2
-
57
-
-
0000637213
-
3)
-
3) J. Phys. Chem. A 1998, 102, 4890-4898
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 4890-4898
-
-
Courty, A.1
Mons, M.2
Dimicoli, I.3
Piuzzi, F.4
Brenner, V.5
Millie, P.6
-
58
-
-
0002254462
-
Quantum-Theory of Atoms in Molecules - Dalton Revisited
-
Bader, R. F. W.; Nguyendang, T. T. Quantum-Theory of Atoms in Molecules-Dalton Revisited Adv. Quantum Chem. 1981, 14, 63-124
-
(1981)
Adv. Quantum Chem.
, vol.14
, pp. 63-124
-
-
Bader, R.F.W.1
Nguyendang, T.T.2
-
59
-
-
0345401784
-
Quantum-Theory of Molecular-Structure and Its Applications
-
Bader, R. F. W. A Quantum-Theory of Molecular-Structure and Its Applications Chem. Rev. 1991, 91, 893-928
-
(1991)
Chem. Rev.
, vol.91
, pp. 893-928
-
-
Bader, R.F.W.A.1
-
60
-
-
0004592759
-
Characterization of C-H-O Hydrogen-Bonds on the Basis of the Charge-Density
-
Koch, U.; Popelier, P. L. A. Characterization of C-H-O Hydrogen-Bonds on the Basis of the Charge-Density J. Phys. Chem. 1995, 99, 9747-9754
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 9747-9754
-
-
Koch, U.1
Popelier, P.L.A.2
-
61
-
-
84890021933
-
Calculation of Small Molecular Interactions by Differences of Separate Total Energies - Some Procedures with Reduced Errors
-
Boys, S. F.; Bernardi, F. Calculation of Small Molecular Interactions by Differences of Separate Total Energies-Some Procedures with Reduced Errors Mol. Phys. 1970, 19, 553-566
-
(1970)
Mol. Phys.
, vol.19
, pp. 553-566
-
-
Boys, S.F.1
Bernardi, F.2
-
63
-
-
0031583452
-
Hierarchy of Counterpoise Corrections for N-Body Clusters: Generalization of the Boys-Bernardi Scheme
-
Valiron, P.; Mayer, I. Hierarchy of Counterpoise Corrections for N-Body Clusters: Generalization of the Boys-Bernardi Scheme Chem. Phys. Lett. 1997, 275, 46-55
-
(1997)
Chem. Phys. Lett.
, vol.275
, pp. 46-55
-
-
Valiron, P.1
Mayer, I.2
-
64
-
-
0029979565
-
Directionality of Hydrogen Bonds to Sulfur and Oxygen
-
Platts, J. A.; Howard, S. T.; Bracke, B. R. F. Directionality of Hydrogen Bonds to Sulfur and Oxygen J. Am. Chem. Soc. 1996, 118, 2726-2733
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 2726-2733
-
-
Platts, J.A.1
Howard, S.T.2
Bracke, B.R.F.3
|