Journal of Chemical Theory and Computation
基本信息
期刊简写:
J. Chem. Theory Comput.
影响因子:
5.7
ISSN:
1549-9618
研究领域:
CHEMICAL
h-index:
146
自引率:
19.3%
年发文量:
760
SCI收录来源:
Science Citation Index Expanded
期刊官网:
https://pubs.acs.org/journal/jctcce
期刊介绍:
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
| 学科 | 排名 | 百分位 |
|---|---|---|
ChemistryPhysical and Theoretical Chemistry |
23 / 189 | 88% |
期刊统计
Monthly
期/年
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
审稿周期
论文处理费
投稿信息
投稿网址:
https://acs.manuscriptcentral.com/acs收录体裁:
Articles
Perspectives
Letters
Perspectives
Letters
期刊推荐
Lab on a Chip
Advanced Engineering Materials
Foundations of Chemistry
Photochemical & Photobiological Sciences
Contact Lens & Anterior Eye
Journal of Enzyme inhibition and Medicinal Chemistry
Physical Chemistry Chemical Physics
Nature Reviews Drug Discovery
European Journal of Organic Chemistry
Faraday Discussions
相关文献
The key role of polymer grafted nanoparticles in the phase miscibility of an LCST mixture
Goutam Prasanna Kar, Avanish Bharati, Priti Xavier, Giridhar Madras, Suryasarathi Bose
2014-09-17
Paper
DOI: 10.1039/C4CP02925A
Revisiting the conundrum of trehalose stabilization
Nidhi Katyal, Shashank Deep
2014-10-28
Paper
DOI: 10.1039/C4CP02914C
Growth of axial nested P–N heterojunction nanowires for high performance diodes
Nan Chen, Zheng Xue, Hui Yang, Zhou Zhang, Juan Gao, Yongjun Li, Huibiao Liu
2014-11-25
Paper
DOI: 10.1039/C4CP04397A
Mechanical properties and stabilities of α-boron monolayers
Qing Peng, Liang Han, Sheng Liu, Zhongfang Chen, Jie Lian, Suvranu De
2014-11-25
Paper
DOI: 10.1039/C4CP04050C
The photochemistry of inverse dithienylethene switches understood
Stéphane Aloïse, Ruan Yibin, Ismail Hamdi, Guy Buntinx, Aurélie Perrier, François Maurel, Denis Jacquemin, Michinori Takeshita
2014-10-22
Paper
DOI: 10.1039/C4CP03641G
Bio-inspired fabrication of hierarchical Ni–Fe–P coated skin collagen fibers for high-performance microwave absorption
Xiaoling Wang, Wenhua Zhang
2014-12-04
Paper
DOI: 10.1039/C4CP03909B
Optimal top electrodes for inverted polymer solar cells
Hye Rim Yeom, Jungwoo Heo, Gi-Hwan Kim, Seo-Jin Ko, Seyeong Song, Yimhyun Jo, Dong Suk Kim, Bright Walker, Jin Young Kim
2014-11-27
Paper
DOI: 10.1039/C4CP04788E
Structure of palladium nanoparticles under oxidative conditions
Cristina Popa, Tianwei Zhu, Ionut Tranca, Payam Kaghazchi, Emiel J. M. Hensen
2014-12-08
Paper
DOI: 10.1039/C4CP01761G
Exploring the phase space of time of flight mass selected PtxY nanoparticles
Federico Masini, Patricia Hernández-Fernández, Davide Deiana, Christian Ejersbo Strebel, David Norman McCarthy, Anders Bodin, Paolo Malacrida, Ifan Stephens, Ib Chorkendorff
2014-07-17
Paper
DOI: 10.1039/C4CP02144D
您可能还喜欢
化合物问答
4-[4-三氟甲基苯基]恶唑(CAS号：1126636-40-5)通常如何合成？
4-[4-三氟甲基苯基]恶唑通常通过将4-三氟甲基苯酚与异硫氰酸苯酯在有机溶剂中进行酯化反应合成。该反应可在无水条件下，使用适当的催化剂，如四丁基氢氧化铵，以提...
1126636-40-54-(4-(Trifluoromethy...
59729-32-71-[3-(Dimethylamino)...
化合物问答
RockPhos Pd G3(CAS号：2009020-38-4)通常如何合成？
RockPhos Pd G3 通常通过钯催化偶联反应合成，使用配体 (2'-Amino-2-biphenylyl)(methanesulfonato-kappa...
2009020-38-4(2'-Amino-2-biphenyl...
化合物问答
1-哌啶甲酰胺(CAS号：2158-03-4)的市场或研究趋势如何？
1-哌啶甲酰胺作为有机合成中的重要中间体，其市场需求主要受医药、农药、染料等行业推动。近年来，随着新药开发和绿色化学的发展，该化合物的研究趋势集中在开发更高效、...
2158-03-41-Piperidinecarboxam...
化合物问答
2-(二苯基膦基)乙胺(CAS号：4848-43-5)适用哪些法规指南？
2-(二苯基膦基)乙胺适用于多种法规指南，包括但不限于《全球化学品统一分类和标签制度》（GHS），欧盟《化学品注册、评估、授权和限制》法规（REACH），以及美...
4848-43-52-(Diphenylphosphino...
化合物问答
如何储存间苯二甲酸二烯丙酯(CAS号：1087-21-4)？
间苯二甲酸二烯丙酯应储存在阴凉、干燥、通风良好的地方，远离火源和热源。储存容器应密封，避免光照和高温。储存温度应控制在25℃以下，相对湿度应低于80%。避免与其...
1087-21-4Diallyl isophthalate
化合物问答
什么是间甲苯异硫代异氰酸酯(CAS号：621-30-7)？
间甲苯异硫代异氰酸酯是一种有机化合物，分子式为C7H7NO2S，具有刺激性气味。它是一种重要的有机合成中间体，在合成其他化合物时广泛应用。
621-30-71-Isothiocyanato-3-m...
化合物问答
在合成中是否有N-Boc-D-苯丙氨醇(CAS号：106454-69-7)的替代品？
在合成中，可以考虑使用N-Cbz-D-苯丙氨醇或N-Fmoc-D-苯丙氨醇作为替代品。这些化合物同样具有保护氨基的功能，且在合成过程中表现出良好的反应性能。
106454-69-72-Methyl-2-propanyl ...
化合物问答
3-羟甲基-2-氧异丙基吡啶(CAS号：954240-50-7)的主要用途是什么？
3-羟甲基-2-氧异丙基吡啶主要用于有机合成领域，可以作为合成其他药物、农药或精细化学品的中间体。此外，它还可能在实验室研究中作为特定反应的前体或溶剂。
954240-50-7(2-Isopropoxy-3-pyri...
化合物问答
6-氨基-9-甲基嘌呤(CAS号：700-00-5)应用于哪些行业？
6-氨基-9-甲基嘌呤目前主要应用于医药行业，作为某些药物的中间体。此外，它还可能用于聚合物、传感器和半导体的某些领域，作为功能性单体或掺杂剂。
700-00-59-Methyl-9H-purin-6-...
推荐化合物
![[2',6'-bis(propan-2-yloxy)-[1,1'-biphenyl]-3-yl]dicyclohexylphosphane structure](https://cnstatic.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号:
787618-22-8
分子式:
C30H43O2P
推荐供应商
免责声明
本页面提供的学术期刊信息仅供参考和研究使用。我们与任何期刊出版商均无关联，也不处理投稿事宜。如有投稿相关咨询，请直接联系相关期刊出版商。
如发现页面信息有误，请发送邮件至 support@chemtradehub.com 联系我们。我们将及时核实并处理您的问题。