- 首页
- 产品推荐个人精选服务科研辅助服务教育大数据服务行业精选服务学科系列服务产品服务
- 期刊大全
- 充值
- 会员
- 职称材料
- 首页
- 产品服务
- 知识脉络
- 期刊大全
- 充值
- 会员
- 职称材料
搜期刊
刊名
文献信息
- 任意字段
- 主题词
- 篇关摘
- 篇名
- 关键词
- 摘要
- 作者
- 第一作者
- 作者单位
- 刊名
- 中图分类号
- 学科分类号
- DOI
- 基金
投稿预审
Computational and Theoretical Chemistry
中科院3区 JCR:Q3 SCIE CA PubMed JST
Computational and Theoretical Chemistry publishes high quality, original reports of significance in computational and theoretical chemistry including those that deal with problems of structure, properties, energetics, weak interactions, reaction mechanisms, catalysis, and reaction rates involving atoms, molecules, clusters, surfaces, and bulk matter. Reports on new algorithms and comprehensive assessments of existing ones, and applications to new types of problems are especially welcome. Manuscripts that apply standard methods to specific chemical problems and/or to specific molecules are appropriate if they report novel results for an important problem of high interest and/or if they are used to develop significant new insights.
- 主办单位： ELSEVIER
- 出版地区： AMSTERDAM
- 出版周期： 月刊
- 别名： COMPUT THEOR CHEM;Comput. Theor. Chem.;Computational & Theoretical Chemistry;计算与理论化学;COMPUTATIONAL AND THEORETICAL CHEMISTRY;Computational & theoretical chemistry
- 国际标准连续出版物号/电子版： ISSN 2210-271X / EISSN 2210-2728
- 创刊时间： 2011年
- 曾用名： Journal of Molecular Structure: THEOCHEM,Theochem
热门主题：
Density Functional TheoryDensity Functional Theory CalculationsNatural Bond OrbitalPotential Energy SurfaceElectronic PropertiesTheoretical InvestigationElectronic StructureGeneralized Gradient ApproximationAdsorption EnergyReaction MechanismPotential Energy SurfacesQuantum Theory of Atoms in MoleculesNoncovalent InteractionsGas PhaseMolecular Electrostatic Potentialthe Electronic PropertiesDensity of StatesAtoms in MoleculesHydrogen BondVibrational Frequencies
期刊信息
- 主办单位：ELSEVIER
- 主 编：J. Li
- 地 址： AMSTERDAM
期刊简介
Computational and Theoretical Chemistry publishes high quality, original reports of significance in computational and theoretical chemistry including those that deal with problems of structure, properties, energetics, weak interactions, reaction mechanisms, catalysis, and reaction rates involving atoms, molecules, clusters, surfaces, and bulk matter. Reports on new algorithms and comprehensive assessments of existing ones, and applications to new types of problems are especially welcome. Manuscripts that apply standard methods to specific chemical problems and/or to specific molecules are appropriate if they report novel results for an important problem of high interest and/or if they are used to develop significant new insights.