Academic Journal
Quartile not availableJournal of Theoretical and Computational Chemistry
About Journal of Theoretical and Computational Chemistry
Journal of Theoretical and Computational Chemistry is a peer-reviewed scholarly journal published by World Scientific (SG). It focuses on Advanced Chemical Physics Studies, Advanced Physical and Chemical Molecular Interactions, Spectroscopy and Quantum Chemical Studies.
Key indicators: ISSN 02196336, 17936888; H-index 36; 1,363 works indexed; 11,418 citations.
Scope and Subject Areas
The journal covers: Advanced Chemical Physics Studies, Advanced Physical and Chemical Molecular Interactions, Spectroscopy and Quantum Chemical Studies, Computational Drug Discovery Methods, Atomic and Molecular Physics, Chemical Reaction Mechanisms, Protein Structure and Dynamics, Crystallography and molecular interactions.
Journal Metrics
- H-index (36): 36 articles have each received at least 36 citations.
- Works indexed: 1,363 publications tracked in OpenAlex.
- Total citations: 11,418.
- Open Access: No.
Publishing in Journal of Theoretical and Computational Chemistry
Researchers should verify the journal's current scope, submission guidelines, and indexing status via the official journal website before submitting. Ensure your manuscript aligns with the journal's subject areas.
Official website: http://www.worldscinet.com/jtcc/jtcc.shtml
Frequently Asked Questions
What is the ISSN of Journal of Theoretical and Computational Chemistry?
02196336, 17936888.
What subjects does Journal of Theoretical and Computational Chemistry cover?
Advanced Chemical Physics Studies, Advanced Physical and Chemical Molecular Interactions, Spectroscopy and Quantum Chemical Studies, Computational Drug Discovery Methods, Atomic and Molecular Physics.
Who publishes Journal of Theoretical and Computational Chemistry?
World Scientific.
Is Journal of Theoretical and Computational Chemistry peer-reviewed?
Yes — it is a peer-reviewed scholarly journal.
Journal Metrics
A quartile may vary by subject category. Values without a source or reporting year are unverified historical entries. Verify the current Journal Impact Factor with Clarivate or the publisher before using it.
Aims & Scope
The publisher’s official aims and scope have not yet been verified for this profile. Use the journal website to check subject fit and accepted article types before submitting.
Recent Research Articles
Latest publications matched automatically by ISSN.
Author index Volume 19 (2020)
2020-12 · DOI: 10.1142/s0219633620990011Comparative study on the oily exudation of aluminized explosives containing EVA and F2603
Jun Tao, Xiaofeng Wang, Kun Zhang
2020-12 · DOI: 10.1142/s0219633620500352Exploration of adsorption behavior, electronic nature and NLO response of hydrogen adsorbed Alkali metals (Li, Na and K) encapsulated Al12N12 nanocages
Riaz Hussain, Muhammad Imran, Muhammad Yasir Mehboob, Muhammad Ali et al.
2020-12 · DOI: 10.1142/s0219633620500315Electronic transport induced by doping on the electrodes in molecular devices
Jingjuan Yang, Jinlei Wei, Bin Liao, Baoan Bian et al.
2020-12 · DOI: 10.1142/s0219633620500303ERRATUM: Combining enhanced sampling with experiment-directed simulation of the GYG peptide
Dilnoza B. Amirkulova, Andrew D. White
2020-12 · DOI: 10.1142/s0219633620920029Halogenated derivatives of cytidine: Structural analysis and binding affinity
Parnia Abyar Ghamsari, Marjaneh Samadizadeh, Mahmoud Mirzaei
2020-12 · DOI: 10.1142/s0219633620500339Designing of near-infrared sensitive asymmetric small molecular donors for high-efficiency organic solar cells
Muhammad Yasir Mehboob, Muhammad Usman Khan, Riaz Hussain, Rafia Fatima et al.
2020-12 · DOI: 10.1142/s0219633620500340Radical scavenging activity of hydroxycinnamic acids in polar and nonpolar solvents: A computational investigation
Hadjer Mansouri, Sidi Mohamed Mekelleche
2020-12 · DOI: 10.1142/s0219633620500327In vitro Acetylcholinesterase inhibitory activity of polyphenolic compounds identified from Matricaria recutita
Suhailah Wasman Qader, Hassan H. Abdallah, Mstaffa Zahid, Lee Suan Chua et al.
2020-12 · DOI: 10.1142/s0219633620500297Insights into the binding of dorzagliatin with glucokinase: A molecular dynamics simulation
Wei Liu, Chenhui Yao, Qian Shang, Yuqiang Liu et al.
2020-11 · DOI: 10.1142/s0219633620500273Extrapolation in quantum chemistry: Insights on energetics and reaction dynamics
A. J. C. Varandas
2020-11 · DOI: 10.1142/s0219633620300013Editorial: Special Issue on Computational Chemistry and Diseases
Minghui Li
2020-09 · DOI: 10.1142/s0219633620020034Theoretical study of new push–pull molecules based on transition metals for NLO applications and determination of ICT mechanisms by DFT calculations
Abdelkader M. Elhorri
2020-11 · DOI: 10.1142/s0219633620500261Identification of therapeutic target in S2 domain of SARS nCov-2 Spike glycoprotein: Key to design and discover drug candidates for inhibition of viral entry into host cell
Gururaj Somadi, Sree Kanth Sivan
2020-11 · DOI: 10.1142/s0219633620500285Theoretical elucidation of the energy conversion rate in organic photovoltaic cells of the fullerene nanostructure derivatives. A density functional theory study
Nadjet Deddouche, Hafida Chemouri
2020-11 · DOI: 10.1142/s021963362050025xEquilibrium compositions in gas phase systems
V. G. Povarov, A. A. Keresten
2020-11 · DOI: 10.1142/s0219633620500248Computational analysis of hereditary spastic paraplegia mutations in the kinesin motor domains of KIF1A and KIF5A
Vidhyanand Mahase, Adebiyi Sobitan, Christina Johnson, Farion Cooper et al.
2020-09 · DOI: 10.1142/s0219633620410035Exploration of physicochemical properties of 4-methoxy acetanilide: A nonlinear optical crystal
G. Bhuvaneswari, L. Guru Prasad, N. Prabavathi
2020-11 · DOI: 10.1142/s0219633620500212The structural, spectral, frontier molecular orbital and thermodynamic analysis of 2-hydroxy 2-methyl propiophenone by MP2 and B3LYP methods
Sidra Ghafoor, Asim Mansha, Sadia Asim, Muhammad Usman et al.
2020-08 · DOI: 10.1142/s0219633620500200Population transfer through multiple channels in two harmonic laser pulses
Rong Wang, Ying-Yu Niu
2020-08 · DOI: 10.1142/s0219633620500236Reviews
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October 10, 2026 at 3:35 am
October 9, 2026