A B3LYP and MP2 theoretical investigation on the cooperativity effect between the XH⋯HM (X=F, Cl, Br; M=Li, Na, K) dihydrogen-bonding and HM⋯π interactions involving C6H6

The H-bond, spodium bond and CH⋯π interactions playing an important role in the supramolecular organization of two mercury(ii) diphenyldithiophosphate complexes have been discussed.

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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 ◽

Theoretical Investigation ◽

Electrostatic Potential ◽

System Formation ◽

Cooperativity Effect

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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):

Theoretical Investigation ◽

Cooperativity Effect

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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 ◽

Theoretical Investigation ◽

Ternary Complex ◽

Cooperativity Effect

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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 ◽

Cooperativity Effect

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A (U)MP2(full) and (U)CCSD(T) theoretical investigation on the substituent effect on the cation–π interactions between Na+ and LCCL (L=H, CH3, OH, F, Cl, CO, NN, CN−, NC− and OH−)

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2010.06.014 ◽

2010 ◽

Vol 956 (1-3) ◽

pp. 1-9 ◽

Cited By ~ 8

Author(s):

Ji-hua Yang ◽

Fu-de Ren

Keyword(s):

Theoretical Investigation ◽

Substituent Effect ◽

Π Interactions

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Theoretical investigation of the role of π–π interactions for the stability of phenylene ethynylene aggregates

Chemical Physics ◽

10.1016/s0301-0104(01)00387-1 ◽

2001 ◽

Vol 270 (2) ◽

pp. 245-251 ◽

Cited By ~ 12

Author(s):

Mónica Pickholz ◽

Sven Stafström

Keyword(s):

Theoretical Investigation ◽

Phenylene Ethynylene ◽

Π Interactions ◽

The Stability

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Strong lone pair⋯π interactions between amine and tri-s-triazine derivatives: A theoretical investigation

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2013.05.022 ◽

2013 ◽

Vol 1017 ◽

pp. 144-152 ◽

Cited By ~ 7

Author(s):

Juan-Juan An ◽

Ren-Ming Wu ◽

Ting Yang ◽

De-Yin Wu ◽

Xin Wang

Keyword(s):

Theoretical Investigation ◽

Lone Pair ◽

Π Interactions ◽

Triazine Derivatives

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Dihydrogen bonding of decahydro-closo-decaborate(2−) and dodecahydro-closo-dodecaborate(2−) anions with proton donors: experimental and theoretical investigation

Journal of Organometallic Chemistry ◽

10.1016/s0022-328x(02)01380-3 ◽

2002 ◽

Vol 657 (1-2) ◽

pp. 155-162 ◽

Cited By ~ 26

Author(s):

E.S Shubina ◽

E.V Bakhmutova ◽

A.M Filin ◽

I.B Sivaev ◽

L.N Teplitskaya ◽

...

Keyword(s):

Theoretical Investigation ◽

Proton Donors ◽

Dihydrogen Bonding

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