Size-Dependent Hydrogen Bonds of Cluster Ions between Phenol Cation Radicals and Water Molecules: A Molecular Orbital Study

The Journal of Physical Chemistry A ◽

10.1021/jp980468c ◽

1998 ◽

Vol 102 (21) ◽

pp. 3798-3812 ◽

Author(s):

Suyong Re ◽

Yoshihiro Osamura

Keyword(s):

Hydrogen Bonds ◽

Molecular Orbital ◽

Cluster Ions ◽

Water Molecules ◽

Cation Radicals ◽

Size Dependent ◽

Molecular Orbital Study ◽

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Ab initio molecular orbital study on the properties of ClO+(H2O)n cluster ions

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2007.01.027 ◽

2007 ◽

Vol 809 (1-3) ◽

pp. 87-93

Author(s):

Z. Liu ◽

J.-G. Huang

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Cluster Ions ◽

Molecular Orbital Study ◽

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An Ab Initio Molecular Orbital Study on Twisting in Silyl-Substituted Ethylene Cation Radicals

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.64.1178 ◽

1991 ◽

Vol 64 (4) ◽

pp. 1178-1182 ◽

Author(s):

Ohgi Takahashi ◽

Kenji Morihashi ◽

Osamu Kikuchi

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Cation Radicals ◽

Molecular Orbital Study ◽

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Interaction of the Sulfides CH3SCH3 and CH3SCH2CO2- with Water Molecules. An ab Initio Molecular Orbital Study

The Journal of Physical Chemistry ◽

10.1021/j100025a012 ◽

1995 ◽

Vol 99 (25) ◽

pp. 10118-10129 ◽

Author(s):

George D. Markham ◽

Charles W. Bock

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Water Molecules ◽

Molecular Orbital Study ◽

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Molecular orbital study of the isotropic hyperfine coupling constants of hydroquinone and tetramethylhydroquinone cation radicals

Journal of the Chemical Society Faraday Transactions ◽

10.1039/a701894k ◽

1997 ◽

Vol 93 (18) ◽

pp. 3313-3317 ◽

Author(s):

Jussi Eloranta ◽

Reijo Suontamo ◽

Mikko Vuolle

Keyword(s):

Molecular Orbital ◽

Hyperfine Coupling ◽

Coupling Constants ◽

Hyperfine Coupling Constants ◽

Cation Radicals ◽

Molecular Orbital Study ◽

Orbital Study ◽

Isotropic Hyperfine Coupling ◽

Isotropic Hyperfine Coupling Constants

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CH/π hydrogen bonds determine the selectivity of the Src homology 2 domain to tyrosine phosphotyrosyl peptides: Anab initiofragment molecular orbital study

Journal of Computational Chemistry ◽

10.1002/jcc.20998 ◽

2008 ◽

Vol 29 (16) ◽

pp. 2656-2666 ◽

Author(s):

Tomonaga Ozawa ◽

Kosuke Okazaki

Keyword(s):

Hydrogen Bonds ◽

Molecular Orbital ◽

Src Homology 2 ◽

Molecular Orbital Study ◽

Orbital Study ◽

Src Homology ◽

Src Homology 2 Domain

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The importance of CH/π hydrogen bonds in rational drug design: An ab initio fragment molecular orbital study to leukocyte-specific protein tyrosine (LCK) kinase

Bioorganic & Medicinal Chemistry ◽

10.1016/j.bmc.2008.10.041 ◽

2008 ◽

Vol 16 (24) ◽

pp. 10311-10318 ◽

Author(s):

Tomonaga Ozawa ◽

Eiichi Tsuji ◽

Motoyasu Ozawa ◽

Chiaki Handa ◽

Harunobu Mukaiyama ◽

...

Keyword(s):

Drug Design ◽

Hydrogen Bonds ◽

Ab Initio ◽

Molecular Orbital ◽

Specific Protein ◽

Rational Drug Design ◽

Molecular Orbital Study ◽

Orbital Study ◽

Rational Drug ◽

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Molecular orbital study of conformational isomers and rotational barriers of methyl substituted hydroquinone cation radicals

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(97)00152-8 ◽

1998 ◽

Vol 424 (3) ◽

pp. 249-255 ◽

Author(s):

Jussi Eloranta ◽

Virpi Vatanen ◽

Kari Vaskonen ◽

Reijo Suontamo ◽

Mikko Vuolle

Keyword(s):

Molecular Orbital ◽

Conformational Isomers ◽

Cation Radicals ◽

Molecular Orbital Study ◽

Rotational Barriers ◽

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A database and molecular orbital study of intramolecular strong hydrogen bonds of metal–diglyoxime systems

Acta Crystallographica Section A Foundations of Crystallography ◽

10.1107/s010876739608539x ◽

1996 ◽

Vol 52 (a1) ◽

pp. C353-C353

Author(s):

K. W. McConnell ◽

R. F. See

Keyword(s):

Hydrogen Bonds ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

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Molecular orbital study of complexes of zinc(II) with imidazole and water molecules

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04849-x ◽

1997 ◽

Vol 392 (1) ◽

pp. 55-64 ◽

Author(s):

R Cini

Keyword(s):

Molecular Orbital ◽

Water Molecules ◽

Molecular Orbital Study ◽

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Molecular-orbital study of the effect of water molecules on nucleic acid-protein interactions

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(90)85113-2 ◽

1990 ◽

Vol 205 ◽

pp. 129-135 ◽

Author(s):

A.A. Votiyuk ◽

A.A. Bliznyuk

Keyword(s):

Nucleic Acid ◽

Molecular Orbital ◽

Protein Interactions ◽

Water Molecules ◽

Effect Of Water ◽

Molecular Orbital Study ◽

Orbital Study ◽

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