Substituent effects on the hydrogen-bonded complex of aniline–H2O: a computational study

Menghui Cheng; Xuemei Pu; Ning-Bew Wong; Menglong Li; Anmin Tian

doi:10.1039/b717465a

Substituent effects on the hydrogen-bonded complex of aniline–H2O: a computational study

New Journal of Chemistry ◽

10.1039/b717465a ◽

2008 ◽

Vol 32 (6) ◽

pp. 1060 ◽

Cited By ~ 14

Author(s):

Menghui Cheng ◽

Xuemei Pu ◽

Ning-Bew Wong ◽

Menglong Li ◽

Anmin Tian

Keyword(s):

Computational Study ◽

Substituent Effects ◽

Hydrogen Bonded

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Computational Study of Substituent Effects on the Interaction Energies of Hydrogen-Bonded Watson−Crick Cytosine:Guanine Base Pairs

The Journal of Physical Chemistry B ◽

10.1021/jp7108913 ◽

2008 ◽

Vol 112 (16) ◽

pp. 5257-5264 ◽

Cited By ~ 12

Author(s):

Chunxia Xue ◽

Paul L. A. Popelier

Keyword(s):

Computational Study ◽

Substituent Effects ◽

Interaction Energies ◽

Base Pairs ◽

Hydrogen Bonded

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Systematic computational study of the geometrical dependence of deuterium quadrupole interaction parameters in an O–2H⋯OC hydrogen bonded system

Chemical Physics ◽

10.1016/s0301-0104(00)00057-4 ◽

2000 ◽

Vol 256 (2) ◽

pp. 159-168 ◽

Cited By ~ 4

Author(s):

Giles W. Turner ◽

Roy L. Johnston ◽

Kenneth D.M. Harris

Keyword(s):

Quadrupole Interaction ◽

Computational Study ◽

Interaction Parameters ◽

Hydrogen Bonded

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Computational Study on the Unconventional Hydrogen-Bonded F-H···C Systems

Journal of the Chinese Chemical Society ◽

10.1002/jccs.200900078 ◽

2009 ◽

Vol 56 (3) ◽

pp. 532-538 ◽

Cited By ~ 4

Author(s):

Hsin-Yi Liao

Keyword(s):

Computational Study ◽

Hydrogen Bonded

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Substituent effects on acidity of aryl-substituted fluoroalkanes: a computational study

Journal of Physical Organic Chemistry ◽

10.1002/poc.3489 ◽

2015 ◽

Vol 29 (2) ◽

pp. 77-83 ◽

Cited By ~ 9

Author(s):

Masaaki Mishima ◽

José-Luis M. Abboud

Keyword(s):

Computational Study ◽

Substituent Effects

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RETRACTED: Computational study of hydrogen-bonded complexes of the pyrimidinic bases of RNA and l-leucine

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2005.03.059 ◽

2005 ◽

Vol 726 (1-3) ◽

pp. 31-37 ◽

Cited By ~ 4

Author(s):

Yaying Zhao ◽

Lixin Zhou

Keyword(s):

Computational Study ◽

Bonded Complexes ◽

Hydrogen Bonded

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A computational study of hydrogen-bonded X3CH⋯YZ (X = Cl, F, NC; YZ = FLi, BF, CO, N2) complexes

Chemical Physics Letters ◽

10.1016/j.cplett.2018.02.037 ◽

2018 ◽

Vol 696 ◽

pp. 61-66 ◽

Cited By ~ 3

Author(s):

Sean A.C. McDowell

Keyword(s):

Computational Study ◽

Hydrogen Bonded

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A COMPUTATIONAL STUDY ON THE HYDROGEN-BONDED COMPLEXES FORMED BY THE ANTHYRIDONE AND DIALDEHYDE DERIVATIVES

Bulletin of the Chemical Society of Ethiopia ◽

10.4314/bcse.v21i2.21206 ◽

2007 ◽

Vol 21 (2) ◽

Author(s):

Xiaopeng Chen ◽

Qiwen Teng ◽

Shi Wu ◽

Lingjia Xu

Keyword(s):

Computational Study ◽

Bonded Complexes ◽

Hydrogen Bonded

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Computational study of hydrogen-bonded complexes of HOCO with acids: HOCO⋯HCOOH, HOCO⋯H2SO4, and HOCO⋯H2CO3

The Journal of Chemical Physics ◽

10.1063/1.4742817 ◽

2012 ◽

Vol 137 (6) ◽

pp. 064319 ◽

Cited By ~ 6

Author(s):

Montu K. Hazra ◽

Joseph S. Francisco ◽

Amitabha Sinha

Keyword(s):

Computational Study ◽

Bonded Complexes ◽

Hydrogen Bonded

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Computational Study of Bond Dissociation Enthalpies for Lignin Model Compounds. Substituent Effects in Phenethyl Phenyl Ethers

The Journal of Organic Chemistry ◽

10.1021/jo9001307 ◽

2009 ◽

Vol 74 (7) ◽

pp. 2837-2841 ◽

Cited By ~ 104

Author(s):

Ariana Beste ◽

A. C. Buchanan

Keyword(s):

Computational Study ◽

Substituent Effects ◽

Model Compounds ◽

Lignin Model Compounds ◽

Bond Dissociation ◽

Lignin Model ◽

Phenyl Ethers

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Computational study of substituent effects on the acidity, toxicity and chemical reactivity of bacteriostatic sulfonamides

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2018.02.006 ◽

2018 ◽

Vol 81 ◽

pp. 116-124 ◽

Cited By ~ 7

Author(s):

Catalina Soriano-Correa ◽

Carolina Barrientos-Salcedo ◽

Misaela Francisco-Márquez ◽

C. Ignacio Sainz-Díaz

Keyword(s):

Computational Study ◽

Chemical Reactivity ◽

Substituent Effects

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Substituent effects on the hydrogen-bonded complex of aniline–H2O: a computational study

Computational Study of Substituent Effects on the Interaction Energies of Hydrogen-Bonded Watson−Crick Cytosine:Guanine Base Pairs

Systematic computational study of the geometrical dependence of deuterium quadrupole interaction parameters in an O–2H⋯OC hydrogen bonded system

Computational Study on the Unconventional Hydrogen-Bonded F-H···C Systems

Substituent effects on acidity of aryl-substituted fluoroalkanes: a computational study

RETRACTED: Computational study of hydrogen-bonded complexes of the pyrimidinic bases of RNA and l-leucine

A computational study of hydrogen-bonded X3CH⋯YZ (X = Cl, F, NC; YZ = FLi, BF, CO, N2) complexes

A COMPUTATIONAL STUDY ON THE HYDROGEN-BONDED COMPLEXES FORMED BY THE ANTHYRIDONE AND DIALDEHYDE DERIVATIVES

Computational study of hydrogen-bonded complexes of HOCO with acids: HOCO⋯HCOOH, HOCO⋯H2SO4, and HOCO⋯H2CO3

Computational Study of Bond Dissociation Enthalpies for Lignin Model Compounds. Substituent Effects in Phenethyl Phenyl Ethers

Computational study of substituent effects on the acidity, toxicity and chemical reactivity of bacteriostatic sulfonamides

A computational study of hydrogen-bonded X3CH⋯YZ (X = Cl, F, NC; YZ = FLi, BF, CO, N2) complexes