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Computational and Theoretical Chemistry 中科院3区 JCR:Q3 SCIE CA PubMed JST
发文量 20,038
被引量 236,486
影响因子(2025版) 2.803

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

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2026年--期
共：7篇

    • Thang, To ToanLinh, Nguyen HoangHung, Dinh TheTruong, Do Van

    • Zhu, YanbinLi, HongboZhang, ShoufengZhou, JinZhang, Li

    • Cebim, Marco Aurelio

    • Zamora, Jerimiah A.Pantoya, Michelle L.Aquino, Adelia J. A.

    • Cao, XiaoyanDolg, Michael

    • Bai, QihuiZhou, XihuaBai, GangGao, Fei

    • Helal, Wissam

2026年--期

2026年--期

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