Journal of Chemical Theory and Computation
Basic Information
Brief Name:
J. Chem. Theory Comput.
Impact Factor:
5.7
ISSN:
1549-9618
Research Field:
CHEMICAL
h-index:
146
Self-citation Rate:
19.3%
Articles per Year:
760
SCI Index Status:
Science Citation Index Expanded
Journal Website:
https://pubs.acs.org/journal/jctcce
Journal Introduction:
The Journal of Chemical Theory and Computation is a bi-weekly peer-reviewed journal that publishes papers on new theories, methodology in quantum electronic structure, molecular dynamics, and statistical mechanics and/or their important applications. Specific topics include but are not limited to: Advances in ab initio quantum mechanics, density functional theory Molecular dynamics and Monte Carlo simulations Ab initio dynamics for chemical reactions Solvation models QM/MM methods for complex chemical processes New theories for quantum computers and their chemical applications Artificial Intelligence, machine learning, data science for chemical theory and computation Computational chemistry packages that present innovative methods Design and properties of new materials and bio-molecular systems Novel theories and applications in surface science Biomolecular dynamics for protein folding/phase separation
CiteScore
CiteScore
9.9
SJR
1.457
SNIP
1.433
| Subject | Rank | Percentile |
|---|---|---|
ChemistryPhysical and Theoretical Chemistry |
23 / 189 | 88% |
Journal Statistics
Monthly
Issues/Year
Submission to First Editorial Decision (Median Days): 4.9
Submission to First Decision with Peer Review (Median Days): 38.2
Submission to Accept (Median Days): 87
Accept to ASAP Publication (Median Days): 17.1
Review Cycle
Article Processing Fee
Submission Information
Submission Website:
https://acs.manuscriptcentral.com/acsAccepted Types:
Articles
Perspectives
Letters
Perspectives
Letters
Recommended Journals
Related Articles
The cis-isomer performs better than the trans-isomer in porphyrin-sensitized solar cells: interfacial electron transport and charge recombination investigations
Liyang Luo, Ram B. Ambre, Sandeep B. Mane, Eric Wei-Guang Diau, Chen-Hsiung Hung
2015-06-30
Paper
DOI: 10.1039/C5CP02367J
Effects of halogen doping on nanocarbon catalysts synthesized by a solution plasma process for the oxygen reduction reaction
Yuta Wada, Satoshi Chiba, Sou Kumagai, Hoonseung Lee, Ai Serizawa, Oi Lun Li, Gasidit Panomsuwan
2016-07-08
Paper
DOI: 10.1039/C6CP03579E
Incorporation of Zn2+ ions into BaTiO3:Er3+/Yb3+ nanophosphor: an effective way to enhance upconversion, defect luminescence and temperature sensing
Tristan Koppe, Tanusree Mondal, Christoph Brüsewitz, Kaushal Kumar, Vineet Kumar Rai, Hans Hofsäss, Ulrich Vetter
2015-07-16
Paper
DOI: 10.1039/C5CP01874A
Non-radiative processes in protonated diazines, pyrimidine bases and an aromatic azine
Gustavo A. Pino, Géraldine Feraud, Claude Dedonder, Christophe Jouvet
2016-04-13
Paper
DOI: 10.1039/C6CP01345G
Stability and geometry of silica nano-ribbons (SNRs): a first-principles study
A. van Blaaderen, M. A. van Huis
2016-07-14
Paper
DOI: 10.1039/C6CP03913H
Light-induced water splitting by titanium-tetrahydroxide: a computational study
Andranik Kazaryan, Rutger van Santen, Evert Jan Baerends
2015-07-13
Paper
DOI: 10.1039/C5CP01812A
Possible interstellar formation of glycine through a concerted mechanism: a computational study on the reaction of CH2NH, CO2 and H2
Zanele P. Nhlabatsi, Priya Bhasi, Sanyasi Sitha
2016-03-22
Paper
DOI: 10.1039/C5CP07124K
Observation and modeling of conformational molecular structures driving the self-assembly of tri-adamantyl benzene on Ag(111)
Bastien Calmettes, Nicolas Estrampes, Christophe Coudret, Thomas J. Roussel, Jordi Faraudo, Roland Coratger
2015-11-27
Paper
DOI: 10.1039/C5CP06733B
Facile synthesis of SnO2 nanocrystals anchored onto graphene nanosheets as anode materials for lithium-ion batteries
Yanjun Zhang, Li Jiang, Chunru Wang
2015-07-08
Communication
DOI: 10.1039/C5CP03305E
You might also like
Compound Q&A
What is Ethyl 3-cyclohexylpropanoate (CAS: 10094-36-7)?
Ethyl 3-cyclohexylpropanoate is a clear, colorless to light yellow liquid with a...
10094-36-7Ethyl 3-cyclohexylpr...
Compound Q&A
How should waste containing 2-(Hydroxymethyl)-5-(methoxycarbonyl)-6-methyl-4-(2-nitrophenyl)nicotinic acid (CAS: 34783-31-8) be handled?
Waste containing 2-(Hydroxymethyl)-5-(methoxycarbonyl)-6-methyl-4-(2-nitrophenyl...
34783-31-82-(Hydroxymethyl)-5-...
Compound Q&A
How should waste containing 2,4,6-Tris(pentafluoroethyl)-1,3,5-triazine (CAS: 858-46-8) be handled?
Waste containing 2,4,6-Tris(pentafluoroethyl)-1,3,5-triazine (CAS: 858-46-8) sho...
858-46-82,4,6-Tris(pentafluo...
Compound Q&A
What precautions should be taken when handling Chloroac-nle-oh (CAS: 56787-36-1)?
When handling Chloroac-nle-oh (CAS: 56787-36-1), it is essential to wear appropr...
56787-36-1Chloroac-nle-oh
Compound Q&A
What industries use Ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxylate (CAS: 752244-05-6)?
Ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxylate is primarily used in the...
752244-05-6Ethyl 6-phenylimidaz...
Compound Q&A
Are there alternatives to alpha-(2-Bromophenyl)benzylamine (CAS: 55095-15-3) in synthesis?
Alternatives to alpha-(2-Bromophenyl)benzylamine (CAS: 55095-15-3) in synthesis ...
55095-15-3alpha-(2-Bromophenyl...
Compound Q&A
How should waste containing 2-Chloro-5-methoxypyridine (CAS: 139585-48-1) be handled?
Waste containing 2-Chloro-5-methoxypyridine (CAS: 139585-48-1) should be managed...
139585-48-12-Chloro-5-methoxypy...
Compound Q&A
What industries use 1-(4-Methoxyphenyl)-2,5-dimethyl-1H-pyrrole (CAS: 5044-27-9)?
1-(4-Methoxyphenyl)-2,5-dimethyl-1H-pyrrole (CAS: 5044-27-9) is used in various ...
5044-27-91-(4-Methoxyphenyl)-...
Compound Q&A
Are there alternatives to 3-Bromo-5-(N-Boc)aminomethylisoxazole (CAS: 903131-45-3) in synthesis?
There are alternative reagents and compounds that can be used in the synthesis o...
903131-45-33-Bromo-5-(N-Boc)ami...
Compound Q&A
What is Tungsten(IV) oxide (CAS: 12036-22-5)?
Tungsten(IV) oxide, also known as tungsten dioxide, is a chemical compound with ...
12036-22-5Tungsten(IV) oxide
Recommended Compounds
Tris(2-ethylhexyl) 4,4',4''-(1,3,5-triazine-2,4,6-triyltriimino)tribenzoate
CAS Number:
88122-99-0
Molecular Formula:
C48H66N6O6
![2-Bromodibenzo[b,d]furan structure](https://static.chemtradehub.com/structs/86-/86-76-0-1814.webp "2-Bromodibenzo[b,d]furan structure")
![[2',6'-bis(propan-2-yloxy)-[1,1'-biphenyl]-3-yl]dicyclohexylphosphane structure](https://static.chemtradehub.com/structs/787/787618-22-8-dda2.webp "[2',6'-bis(propan-2-yloxy)-[1,1'-biphenyl]-3-yl]dicyclohexylphosphane structure")
[2',6'-bis(propan-2-yloxy)-[1,1'-biphenyl]-3-yl]dicyclohexylphosphane
CAS Number:
787618-22-8
Molecular Formula:
C30H43O2P
Recommended Suppliers
Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.