A polarizable dipole-dipole interaction model for evaluation of the interaction energies for NH···OC and CH···OC hydrogen-bonded complexes

Shu-Shi Li; Cui-Ying Huang; Jiao-Jiao Hao; Chang-Sheng Wang

doi:10.1002/jcc.23473

A polarizable dipole-dipole interaction model for evaluation of the interaction energies for NH···OC and CH···OC hydrogen-bonded complexes

Journal of Computational Chemistry ◽

10.1002/jcc.23473 ◽

2013 ◽

Vol 35 (6) ◽

pp. 415-426 ◽

Cited By ~ 8

Author(s):

Shu-Shi Li ◽

Cui-Ying Huang ◽

Jiao-Jiao Hao ◽

Chang-Sheng Wang

Keyword(s):

Interaction Model ◽

Dipole Interaction ◽

Interaction Energies ◽

Bonded Complexes ◽

Hydrogen Bonded

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Rapid evaluation of the interaction energies for carbohydrate-containing hydrogen-bonded complexes via the polarizable dipole–dipole interaction model combined with NBO or AM1 charge

RSC Advances ◽

10.1039/c4ra12814a ◽

2015 ◽

Vol 5 (9) ◽

pp. 6452-6461 ◽

Cited By ~ 4

Author(s):

Jiao-Jiao Hao ◽

Chang-Sheng Wang

Keyword(s):

Hydrogen Bond ◽

Interaction Model ◽

Dipole Interaction ◽

Rapid Evaluation ◽

Interaction Energies ◽

Bonded Complexes ◽

Hydrogen Bonded

The polarizable dipole–dipole interaction model has been developed to rapidly and accurately estimate the hydrogen bond distances and interaction energies for carbohydrate-containing hydrogen-bonded complexes.

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Rapid prediction of interaction energies for nucleoside-containing hydrogen-bonded complexes: Lone-pair dipole moment treatment for adenine, cytosine and guanine

Chemical Research in Chinese Universities ◽

10.1007/s40242-017-6295-7 ◽

2017 ◽

Vol 33 (1) ◽

pp. 94-99

Author(s):

Cuiying Huang ◽

Qiang Hao ◽

Changsheng Wang

Keyword(s):

Dipole Moment ◽

Lone Pair ◽

Interaction Energies ◽

Rapid Prediction ◽

Bonded Complexes ◽

Hydrogen Bonded

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Rapid evaluation of the interaction energies for O–H···O hydrogen-bonded complexes

Theoretical Chemistry Accounts ◽

10.1007/s00214-014-1516-3 ◽

2014 ◽

Vol 133 (8) ◽

Cited By ~ 6

Author(s):

Jiao-Jiao Hao ◽

Shu-Shi Li ◽

Xiao-Nan Jiang ◽

Xiao-Lei Li ◽

Chang-Sheng Wang

Keyword(s):

Rapid Evaluation ◽

Interaction Energies ◽

Bonded Complexes ◽

Hydrogen Bonded

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Accurate Calculation of the Interaction Energies in Hydrogen-Bonded Complexes

Recent Theoretical and Experimental Advances in Hydrogen Bonded Clusters ◽

10.1007/978-94-015-9434-9_3 ◽

2000 ◽

pp. 35-44 ◽

Cited By ~ 4

Author(s):

J. M. Pedulla ◽

K. D. Jordan

Keyword(s):

Interaction Energies ◽

Accurate Calculation ◽

Bonded Complexes ◽

Hydrogen Bonded

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Importance of electron correlation effects and basis set superposition error in calculations of interaction energies and interaction-induced electric properties in hydrogen-bonded complexes: a model study

Theoretical Chemistry Accounts ◽

10.1007/s00214-010-0817-4 ◽

2010 ◽

Vol 128 (4-6) ◽

pp. 555-561 ◽

Cited By ~ 29

Author(s):

Angelika Baranowska ◽

Berta Fernández ◽

Andrzej J. Sadlej

Keyword(s):

Electron Correlation ◽

Electric Properties ◽

Basis Set ◽

Interaction Energies ◽

Correlation Effects ◽

Basis Set Superposition Error ◽

Model Study ◽

Electron Correlation Effects ◽

Bonded Complexes ◽

Hydrogen Bonded

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Explicitly correlated intermolecular distances and interaction energies of hydrogen bonded complexes

The Journal of Chemical Physics ◽

10.1063/1.3159672 ◽

2009 ◽

Vol 131 (3) ◽

pp. 034307 ◽

Cited By ~ 76

Author(s):

Joseph R. Lane ◽

Henrik G. Kjaergaard

Keyword(s):

Interaction Energies ◽

Explicitly Correlated ◽

Intermolecular Distances ◽

Bonded Complexes ◽

Hydrogen Bonded

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ChemInform Abstract: Some Solid Hydrogen-bonded Complexes of Stannic Chloride whith Diisopropyl Ether and Carboxylic Acids.

Chemischer Informationsdienst ◽

10.1002/chin.198248292 ◽

1982 ◽

Vol 13 (48) ◽

Author(s):

M. M. MOSTAFA ◽

K. TAUGBOL ◽

T. K. LOVENG

Keyword(s):

Carboxylic Acids ◽

Solid Hydrogen ◽

Diisopropyl Ether ◽

Stannic Chloride ◽

Bonded Complexes ◽

Hydrogen Bonded

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Theoretical study of hydrogen bonding interactions in substituted nitroxide radicals

New Journal of Chemistry ◽

10.1039/d0nj05362g ◽

2021 ◽

Author(s):

Thufail M. Ismail ◽

Neetha Mohan ◽

P. K. Sajith

Keyword(s):

Hydrogen Bonding ◽

Interaction Energy ◽

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Theoretical Study ◽

Nitroxide Radicals ◽

Hydrogen Bonding Interactions ◽

Bonded Complexes ◽

Hydrogen Bonded

Interaction energy (Eint) of hydrogen bonded complexes of nitroxide radicals can be assessed in terms of the deepest minimum of molecular electrostatic potential (Vmin).

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