journal of computational chemistry

Rank: 21.16 /

Indexings	scopus ncbi ulakbim MEP: 1.146 Ödeme: 5730 Yılı: 2020 sci
Short Name	j comput chem
Abbreviated Name	j comput chem
ISSN	1096-987X
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Top 10 Most Clicked Articles

2020 Saito K, Watabe Y, Miyazaki T, Takayanagi T, Hasegawa JY, ,

Spin-inversion mechanisms in O 2 binding to a model heme compound: A perspective from nonadiabatic wave packet calculations ,

Vol N/A: -

Clicks: 323

2019 Vikramaditya, Talapunur, Lin, Shiang-Tai,

Limitations of Global Hybrids in Predicting the Geometries and Torsional Energy Barriers of Dimeric Systems and the Role of Hartree Fock and DFT Exchange. ,

40: 2810-2818

Clicks: 316

2019 Beata, Giorgia, Perego, Gianpaolo, Civalleri, Bartolomeo,

CRYSPLOT: A new tool to visualize physical and chemical properties of molecules, polymers, surfaces, and crystalline solids. ,

Vol N/A: Pages N/A

Clicks: 297

2016 , Ramón Alvarado Ruiz

violencia y dolor, voz narrativa y lenguaje: sin aliento de ricardo chávez castañeda. ,

4: 50-76

Clicks: 256

2009 Geerke DP, Luber S, Marti KH, Van Gunsteren WF, ,

On the direct calculation of the free energy of quantization for molecular systems in the condensed phase ,

30: -

Clicks: 253

2020 Šebesta, Filip, Šebera, Jakub, Sychrovský, Vladimír, Tanaka, Yoshiyuki, Burda, Jaroslav V,

QM and QM/MM umbrella sampling MD study of the formation of Hg(II)-thymine bond: Model for evaluation of the reaction energy profiles in solutions with constant pH. ,

Vol N/A: Pages N/A

Clicks: 248

2019 Zhang, Hong, Shao, Xueguang, Dehez, François, Cai, Wensheng, Chipot, Christophe,

Modulation of membrane permeability by carbon dioxide. ,

Vol N/A: Pages N/A

Clicks: 234

2020 Zheng, Daoyuan, Guo, Yurong, Zhang, Mingxing, Feng, Xia, Zhu, Lina, Qiu, Lijuan, Jin, Xiaoning, Zhao, Guangjiu,

Anisotropic charge carrier transport of optoelectronic functional selenium-containing organic semiconductor materials. ,

Vol N/A: Pages N/A

Clicks: 231

2016 Jones, L.

Modeling a halogen dance reaction mechanism: A density functional theory study ,

Vol N/A: 1697-1703

Clicks: 215

2019 Laghuvarapu, Siddhartha, Pathak, Yashaswi, Priyakumar, U Deva,

BAND NN: A Deep Learning Framework for Energy Prediction and Geometry Optimization of Organic Small Molecules. ,

Vol N/A: Pages N/A

Clicks: 213

Certificate of Indexing

This is to certify that

journal of computational chemistry

ISSN: 1096-987X

is being indexed by Journament

Indexing started on: July 15, 2019

Certificate issued on: July 27, 2025

Verification link: https://journament.com/journal/703