Density Functional Theory Study of Triphenyl Phosphite:  Molecular Flexibility and Weak Intermolecular Hydrogen Bonding

Olivier J. Hernandez; Abdou Boucekkine; Alain Hédoux

doi:10.1021/jp071934d

Density Functional Theory Study of Triphenyl Phosphite: Molecular Flexibility and Weak Intermolecular Hydrogen Bonding

The Journal of Physical Chemistry A ◽

10.1021/jp071934d ◽

2007 ◽

Vol 111 (30) ◽

pp. 6952-6958 ◽

Cited By ~ 11

Author(s):

Olivier J. Hernandez ◽

Abdou Boucekkine ◽

Alain Hédoux

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Density Functional ◽

Intermolecular Hydrogen Bonding ◽

Triphenyl Phosphite ◽

Density Functional Theory Study ◽

Molecular Flexibility ◽

Functional Theory

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Density Functional Theory Study of the Hydrogen-Bonding Interaction of 1:1 Complexes of Alanine with Water

The Journal of Physical Chemistry A ◽

10.1021/jp040044k ◽

2004 ◽

Vol 108 (32) ◽

pp. 6735-6743 ◽

Cited By ~ 17

Author(s):

Hai-tao Zhang ◽

Zheng-yu Zhou ◽

Yun Shi

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Density Functional ◽

Density Functional Theory Study ◽

Hydrogen Bonding Interaction ◽

Functional Theory ◽

Bonding Interaction

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Hydrogen Bonding versus Coordination of Adsorbate Molecules on Ti-Silicalites: A Density Functional Theory Study

Journal of the American Chemical Society ◽

10.1021/ja0385484 ◽

2004 ◽

Vol 126 (30) ◽

pp. 9439-9444 ◽

Cited By ~ 19

Author(s):

Nurbosyn U. Zhanpeisov ◽

Masakazu Anpo

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Vibrational Spectroscopy and Density Functional Theory of Intermolecular Hydrogen Bonding in 2-Thiohydantoins

10.1063/1.3482568 ◽

2010 ◽

Author(s):

Anamika Mishra ◽

Vineet Gupta ◽

Poonam Tandon ◽

Ko-Ki Kunimoto ◽

P. M. Champion ◽

...

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Vibrational Spectroscopy ◽

Density Functional ◽

Intermolecular Hydrogen Bonding ◽

Functional Theory

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Density functional theory study on hydrogen bonding interaction of luteolin–(H2O)n

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2009.07.004 ◽

2009 ◽

Vol 911 (1-3) ◽

pp. 98-104 ◽

Cited By ~ 5

Author(s):

Lai-Cai Li ◽

Feng Hu ◽

Wan-Fei Cai ◽

An-Min Tian ◽

Ning-Bew Wong

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Density Functional ◽

Density Functional Theory Study ◽

Hydrogen Bonding Interaction ◽

Functional Theory ◽

Bonding Interaction

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Density Functional Theory Study of the Hydrogen Bonding Interaction of 1:1 Complexes of Formamide with Glycine

The Journal of Physical Chemistry A ◽

10.1021/jp0400263 ◽

2004 ◽

Vol 108 (30) ◽

pp. 6414-6420 ◽

Cited By ~ 14

Author(s):

Yun Shi ◽

Zheng-yu Zhou ◽

Hai-tao Zhang

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Density Functional ◽

Density Functional Theory Study ◽

Hydrogen Bonding Interaction ◽

Functional Theory ◽

Bonding Interaction

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Time-dependent density functional theory study on the electronic excited-state geometric structure, infrared spectra, and hydrogen bonding of a doubly hydrogen-bonded complex

Journal of Computational Chemistry ◽

10.1002/jcc.21297 ◽

2009 ◽

Vol 30 (16) ◽

pp. 2723-2727 ◽

Cited By ~ 56

Author(s):

Yufang Liu ◽

Junxia Ding ◽

Ruiqiong Liu ◽

Deheng Shi ◽

Jinfeng Sun

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Excited State ◽

Infrared Spectra ◽

Geometric Structure ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Density functional theory study of the hydrogen bonding interaction of the dimers of formylhalide

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2004.10.055 ◽

2005 ◽

Vol 718 (1-3) ◽

pp. 23-29 ◽

Cited By ~ 2

Author(s):

Xiao-li Gong ◽

Zheng-yu Zhou ◽

Han Zhang ◽

Shu-zhen Liu

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Density Functional ◽

Density Functional Theory Study ◽

Hydrogen Bonding Interaction ◽

Functional Theory ◽

Bonding Interaction

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Density functional theory study of N–H⋯O, O–H⋯O and C–H⋯O hydrogen-bonding effects on the 14N and 2H nuclear quadrupole coupling tensors of N-acetyl-valine

Biophysical Chemistry ◽

10.1016/j.bpc.2007.11.006 ◽

2008 ◽

Vol 133 (1-3) ◽

pp. 11-18 ◽

Cited By ~ 26

Author(s):

Mehdi D. Esrafili ◽

Hadi Behzadi ◽

Nasser L. Hadipour

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Quadrupole Coupling ◽

Nuclear Quadrupole

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Time-dependent density functional theory study on the electronic excited-state hydrogen-bonding dynamics of 4-aminophthalimide (4AP) in aqueous solution: 4AP and 4AP-(H2O)1,2 clusters

Journal of Computational Chemistry ◽

10.1002/jcc.21504 ◽

2010 ◽

Vol 31 (11) ◽

pp. 2157-2163 ◽

Cited By ~ 30

Author(s):

Rui Wang ◽

Ce Hao ◽

Peng Li ◽

Ning-Ning Wei ◽

Jingwen Chen ◽

...

Keyword(s):

Aqueous Solution ◽

Density Functional Theory ◽

Hydrogen Bonding ◽

Excited State ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Hydrogen Bonding Dynamics ◽

Dependent Density

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Hydrogen Bonding Affects the [NiFe] Active Site ofDesulfovibriovulgarisMiyazaki F Hydrogenase: A Hyperfine Sublevel Correlation Spectroscopy and Density Functional Theory Study

The Journal of Physical Chemistry B ◽

10.1021/jp0573902 ◽

2006 ◽

Vol 110 (15) ◽

pp. 8142-8150 ◽

Cited By ~ 20

Author(s):

Aruna Goenka Agrawal ◽

Maurice van Gastel ◽

Wolfgang Gärtner ◽

Wolfgang Lubitz

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Active Site ◽

Density Functional ◽

Correlation Spectroscopy ◽

Density Functional Theory Study ◽

Functional Theory ◽

Hyperfine Sublevel Correlation Spectroscopy ◽

Hyperfine Sublevel Correlation

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