化学
Paper Review Records
全部论文审稿周期
20 篇有效样本 · 按发表日期由新到旧排列
审稿天数=录用日期-收稿日期;保留 PDF/DOI/网页源链接
Structure, Stability, Spectroscopy and Chemical Bonding Analyses on the Novel X 6 (X = N, P, As, Sb, Bi) Molecules
作者Yu Cheng; Shu‐Wen Zhang; Xin‐Yu Dai; Yang‐Yang Zhang
作者单位1. School of Rare Earths University of Science and Technology of China Hefei China; 2. Fundamental Science Center of Rare Earths Ganjiang Innovation Academy, Chinese Academy of Sciences Ganzhou Jiangxi China
Development of a Conformational Sampling Method for Transition State Structures With Diverse Active Bond Lengths
作者Satoshi Matsutani; Taichi Shomura; Nobuya Tsuji; Satoshi Maeda
作者单位1. Graduate School of Chemical Sciences and Engineering Hokkaido University Sapporo Japan; 2. Institute for Chemical Reaction Design and Discovery (WPI‐ICReDD), Hokkaido University Sapporo Japan; 3. Department of Chemistry, Graduate School of Science Hokkaido University Sapporo Japan
Non‐Bivariational Time‐Dependent Orbital‐Quasi‐Optimized Coupled‐Cluster Methods Family for Fermion‐Mixtures Dynamics
作者Haifeng Lang; Takeshi Sato
作者单位1. Department of Nuclear Engineering and Management, Graduate School of Engineering The University of Tokyo Tokyo Japan; 2. Photon Science Center, Graduate School of Engineering The University of Tokyo Tokyo Japan; 3. Research Institute for Photon Science and Laser Technology The University of Tokyo Tokyo Japan
Accelerated “On‐the‐Fly” Coupled‐Cluster Path‐Integral Molecular Dynamics: Impact of Nuclear Quantum Effects on An Asymmetric Proton
作者Thomas Spura; Hossam Elgabarty; Thomas D. Kühne
作者单位1. Department of Chemistry University of Paderborn Paderborn Germany; 2. Center for Advanced Systems Understanding (CASUS) Görlitz Germany; 3. Helmholtz Zentrum Dresden‐Rossendorf Dresden Germany; 4. Institute of Artificial Intelligence, Technische Universität Dresden Dresden Germany
Molecular Interactions of Pyridine With Water: A Combined DFT Benchmarking and QTAIM Analysis
作者Juda Baikété; Celestin Godwe Tcheombe; Alhadji Malloum; Jeanet Conradie
作者单位1. Department of Physics, Faculty of Science University of Maroua Maroua PO Cameroon; 2. Department of Chemistry University of the Free State Bloemfontein PO South Africa
Fast and Accurate GPU ‐Accelerated Computation of Two‐Electron Four‐Center Coulomb Repulsion Integrals
作者Avleen Kaur; William Chen; Gautam Kirshan Luhana; Lior Silberman; Mark Ewert; Alexandra Bünger; Ury Segal; Chen Greif
作者单位1. Department of Computer Science The University of British Columbia Vancouver Canada; 2. Department of Mathematics The University of British Columbia Vancouver Canada
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