A B3LYP and MP2(full) theoretical investigation on the cooperativity effect between hydrogen-bonding and cation-molecule interactions and thermodynamic property in the 1: 2 (Na+: N-(Hydroxymethyl)acetamide) ternary complex

Ternary Complex ◽

Cooperativity Effect ◽

Molecule Interactions

A theoretical investigation into the cooperativity effect involving anionic hydrogen bond, thermodynamic property and aromaticity in Cl−⋯benzonitrile⋯H2O ternary complex

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2014.02.033 ◽

2014 ◽

Vol 1035 ◽

pp. 76-83 ◽

Cited By ~ 3

Author(s):

Guang-ming Zhao ◽

Yu-cun Liu ◽

Wen-jing Shi ◽

Tao Chai ◽

Sheng-dong Qin

Keyword(s):

Hydrogen Bond ◽

Thermodynamic Property ◽

Ternary Complex ◽

A B3LYP and MP2(full) theoretical investigation on the cooperativity effect between cation–molecule and hydrogen-bonding interactions in the O-cresol complex with Na+

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2012.07.020 ◽

2012 ◽

Vol 996 ◽

pp. 91-102 ◽

Cited By ~ 10

Author(s):

Yong-gan Yan ◽

Wen-jing Shi ◽

Guo-rui Feng ◽

Fu-de Ren ◽

Yong Wang

Keyword(s):

Hydrogen Bonding ◽

Hydrogen Bonding Interactions ◽

Exchange Coupling of Transition-Metal Ions through Hydrogen Bonding: A Theoretical Investigation

Journal of the American Chemical Society ◽

10.1021/ja0178160 ◽

2002 ◽

Vol 124 (18) ◽

pp. 5197-5205 ◽

Cited By ~ 154

Author(s):

Cédric Desplanches ◽

Eliseo Ruiz ◽

Antonio Rodríguez-Fortea ◽

Santiago Alvarez

Keyword(s):

Hydrogen Bonding ◽

Transition Metal ◽

Metal Ions ◽

Exchange Coupling ◽

Transition Metal Ions

Spectroscopic analysis and theoretical investigation of hydrogen bonding interaction of quercetin with different acceptor molecules

Journal of Molecular Structure ◽

10.1016/j.molstruc.2018.12.034 ◽

2019 ◽

Vol 1180 ◽

pp. 698-707 ◽

Cited By ~ 5

Author(s):

Animesh Karmakar ◽

Bula Singh

Keyword(s):

Hydrogen Bonding ◽

Spectroscopic Analysis ◽

Hydrogen Bonding Interaction ◽

Bonding Interaction ◽

Acceptor Molecules

A theoretical investigation into the cooperativity effect between the H∙∙∙O and H∙∙∙F– interactions and electrostatic potential upon 1:2 (F–:N-(Hydroxymethyl)acetamide) ternary-system formation

Journal of Molecular Modeling ◽

10.1007/s00894-013-2011-9 ◽

2013 ◽

Vol 19 (12) ◽

pp. 5171-5185 ◽

Cited By ~ 7

Author(s):

Qing-ping Tian ◽

Yan-hong Wang ◽

Wen-jing Shi ◽

Shu-qin song ◽

Hai-fei Tang

Keyword(s):

Ternary System ◽

Electrostatic Potential ◽

System Formation ◽

HYDROGEN BONDING IN THE MONOHYDRATED COMPLEXES OF TRIMETHYLENE OXIDE, SULFIDE AND SELENIDE: A ROTATIONAL SPECTROSCOPIC AND THEORETICAL INVESTIGATION

Proceedings of the 2020 International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2020.ml09 ◽

2020 ◽

Author(s):

Weslley Silva ◽

Jennifer van Wijngaarden

Keyword(s):

Hydrogen Bonding ◽

Trimethylene Oxide

Theoretical investigation of the conformation and hydrogen bonding ability of 5-arylazosalicylaldoximes

Journal of Molecular Structure ◽

10.1016/j.molstruc.2012.06.012 ◽

2012 ◽

Vol 1027 ◽

pp. 175-185 ◽

Cited By ~ 7

Author(s):

A. Manimekalai ◽

R. Balachander

Keyword(s):

Hydrogen Bonding ◽

Theoretical Investigation

Theoretical investigation of hydrogen bonding effects on oxygen, nitrogen, and hydrogen chemical shielding and electric field gradient tensors of chitosan/HI salt

Carbohydrate Research ◽

10.1016/j.carres.2007.07.014 ◽

2007 ◽

Vol 342 (16) ◽

pp. 2396-2403 ◽

Cited By ~ 3

Author(s):

Sajjad Khodaei ◽

Nasser L. Hadipour ◽

Mohammad Reza Kasaai

Keyword(s):

Hydrogen Bonding ◽

Electric Field ◽

Electric Field Gradient ◽

Field Gradient ◽

Chemical Shielding

A theoretical investigation of the competition between hydrogen bonding and lone pair⋯π interaction in complexes of TNT with NH3

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2015.04.006 ◽

2015 ◽

Vol 1064 ◽

pp. 25-34 ◽

Cited By ~ 11

Author(s):

Mei-Zhen Ao ◽

Zhi-qiang Tao ◽

Hai-Xia Liu ◽

De-Yin Wu ◽

Xin Wang

Keyword(s):

Hydrogen Bonding ◽

Lone Pair

Theoretical investigation into the cooperativity effect of 1,4-dimethoxy-d-glucosamine complex with Na+ and H2O

Journal of Molecular Modeling ◽

10.1007/s00894-020-04461-x ◽

2020 ◽

Vol 26 (8) ◽

Cited By ~ 1

Author(s):

Jin-an Zhao ◽

Fu-de Ren

Keyword(s):