journal of chemical theory and computation

Rank: 25.26 /

Indexings	scopus ncbi ulakbim MEP: 1.853 Ödeme: 7500 Yılı: 2020 sci
Short Name	j chem theory comput
Abbreviated Name	j chem theory comput
ISSN	1549-9626
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Top 10 Most Clicked Articles

2019 McKinley, Jessica L, Beran, Gregory J O,

Improving Predicted Nuclear Magnetic Resonance Chemical Shifts Using the Quasi-Harmonic Approximation. ,

Vol N/A: Pages N/A

Clicks: 375

2020 Sormani, Giulia, Rodriguez, Alex, Laio, Alessandro,

Explicit Characterization of the Free-Energy Landscape of a Protein in the Space of All Its C Carbons. ,

16: 80-87

Clicks: 354

2019 Sun, Geng, Sautet, Philippe,

Towards fast and reliable potential energy surfaces for metallic Pt clusters by hierarchical delta neural networks. ,

Vol N/A: Pages N/A

Clicks: 343

2012 Rinkevicius, Zilvinas, Frecuş, Bogdan, Murugan, N Arul, Vahtras, Olav, Kongsted, Jacob, Ågren, Hans,

Encapsulation Influence on EPR Parameters of Spin-Labels: 2,2,6,6-Tetramethyl-4-methoxypiperidine-1-oxyl in Cucurbit[8]uril. ,

8: 257-63

Clicks: 267

2020 Rodrı Guez-Borbón, José M, Kalantar, Amin, Yamijala, Sharma S R K C, Oviedo, M Belén, Najjar, Walid, Wong, Bryan M,

Field Programmable Gate Arrays for Enhancing the Speed and Energy Efficiency of Quantum Dynamics Simulations. ,

Vol N/A: Pages N/A

Clicks: 261

2019 Hermann, Markus R, Hub, Jochen S,

SAXS-restrained ensemble simulations of intrinsically disordered proteins with commitment to the principle of maximum entropy. ,

Vol N/A: Pages N/A

Clicks: 255

2019 Noguchi, Yoshifumi, Hiyama, Miyabi, Motoyuki, Shiga, Akiyama, Hidefumi, Sugino, Osamu,

Photoabsorption Spectra of Aqueous Oxyluciferin Anions Elucidated by Explicit Quantum Solvent. ,

Vol N/A: Pages N/A

Clicks: 254

2020 Niina, Toru, Fuchigami, Sotaro, Takada, Shoji,

Flexible Fitting of Biomolecular Structures to Atomic Force Microscopy Images via Biased Molecular Simulations. ,

Vol N/A: Pages N/A

Clicks: 251

2020 Fabregat, Raimon, Fabrizio, Alberto, Meyer, Benjamin, Hollas, Daniel, Corminboeuf, Clémence,

Hamiltonian-reservoir Replica Exchange and Machine Learning Potentials for Computational Organic Chemistry. ,

Vol N/A: Pages N/A

Clicks: 232

2020 Hyltegren, Kristin, Polimeni, Marco, Skepö, Marie, Lund, Mikael,

Integrating All-Atom and Coarse-Grained Simulations-Toward Understanding of IDPs at Surfaces. ,

Vol N/A: Pages N/A

Clicks: 224

Certificate of Indexing

This is to certify that

journal of chemical theory and computation

ISSN: 1549-9626

is being indexed by Journament

Indexing started on: August 17, 2019

Certificate issued on: July 7, 2025

Verification link: https://www.journament.com/journal_stat/2306