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

Ternary Complex ◽

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

10.1007/s00894-014-2154-3 ◽

2014 ◽

Vol 20 (3) ◽

Cited By ~ 9

Author(s):

Guo-rui Feng ◽

Ting-ye Qi ◽

Wen-jing Shi ◽

Yu-xia Guo ◽

Yu-jiang Zhang ◽

...

Keyword(s):

Hydrogen Bonding ◽

Thermodynamic Property ◽

Ternary Complex ◽

Cooperativity Effect ◽

Molecule Interactions

The Hydrogen Bond Effect on Excited State Mechanism for 2-Isopropyl Thioxanone in Protic Solvents: Experimental and Theoretical Investigation

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.117012 ◽

2021 ◽

pp. 117012

Author(s):

Yurong Guo ◽

Yingqian Zhong ◽

Zibo Wu ◽

Chao Wang ◽

Yanan Wang ◽

...

Keyword(s):

Hydrogen Bond ◽

Excited State ◽

Protic Solvents ◽

Bond Effect

Selenoxides Are Better Hydrogen-Bond Acceptors than Sulfoxides: a Crystallographic Database and Theoretical Investigation

The Journal of Physical Chemistry A ◽

10.1021/jp0482870 ◽

2004 ◽

Vol 108 (35) ◽

pp. 7232-7240 ◽

Cited By ~ 6

Author(s):

Eric Renault ◽

Jean-Yves Le Questel

Keyword(s):

Hydrogen Bond ◽

Theoretical Investigation

Gold setting the “gold standard” among transition metals as a hydrogen bond acceptor – a theoretical investigation

Dalton Transactions ◽

10.1039/c7dt00329c ◽

2017 ◽

Vol 46 (15) ◽

pp. 4960-4967 ◽

Cited By ~ 16

Author(s):

Ferdinand Groenewald ◽

Helgard G. Raubenheimer ◽

Jan Dillen ◽

Catharine Esterhuysen

Keyword(s):

Hydrogen Bond ◽

Transition Metals ◽

Gold Standard ◽

Hydrogen Bond Acceptor ◽

Hydrogen Bond Donors

MP2/aug-cc-pVTZ-pp calculations show that the Au(i) atom of dimethylaurate behaves as a hydrogen-bond acceptor to a range of hydrogen-bond donors.

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

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 ◽

Theoretical investigation on the improper hydrogen bond in κ-carrabiose⋯Y (Y = HF, HCl, HBr, NH3, H2O, and H2S) complexes

10.1007/s00894-021-04904-z ◽

2021 ◽

Vol 27 (10) ◽

Author(s):

Fodil Rachida ◽

Sayede Adlane ◽

Sekkal-Rahal Majda

Keyword(s):

Hydrogen Bond ◽

Theoretical Investigation

Theoretical investigation on the non-covalent interactions of acetaminophen complex in different solvents: study of the enhancing effect of the cation–π interaction on the intramolecular hydrogen bond

Theoretical Chemistry Accounts ◽

10.1007/s00214-020-02650-8 ◽

2020 ◽

Vol 139 (8) ◽

Author(s):

Marziyeh Mohammadi ◽

Azadeh Khanmohammadi

Keyword(s):

Hydrogen Bond ◽

Intramolecular Hydrogen Bond ◽

Enhancing Effect ◽

Non Covalent Interactions ◽

Intramolecular Hydrogen ◽

Covalent Interactions

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

10.1007/s00894-020-04461-x ◽

2020 ◽

Vol 26 (8) ◽

Cited By ~ 1

Author(s):

Jin-an Zhao ◽

Fu-de Ren

Keyword(s):

Cooperativity effect involving drug–DNA/RNA intermolecular interaction: A B3LYP-D3 and MP2 theoretical investigation on ketoprofen⋯cytosine⋯H2O system

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2017.1400469 ◽

2017 ◽

Vol 36 (14) ◽

pp. 3587-3606 ◽

Cited By ~ 1

Author(s):

Jun-ping Zhen ◽

Xiao-chun Wei ◽

Wen-jing Shi ◽

Zhu-yuan Huang ◽

Bo Jin ◽

...

Keyword(s):

Intermolecular Interaction ◽

Theoretical investigation on hydrogen bond interaction of diketo/keto-enol form uracil and thymine tautomers with intercalators

10.1007/s00894-017-3476-8 ◽

2017 ◽

Vol 23 (12) ◽

Cited By ~ 2

Author(s):

V. S. Anithaa ◽

S. Vijayakumar ◽

M. Sudha ◽

R. Shankar

Keyword(s):

Hydrogen Bond ◽

Enol Form ◽

Hydrogen Bond Interaction ◽

Bond Interaction