Paper Review Records
All Paper Review Records
20 valid samples · Newest publication first
Review days = acceptance date − received date. PDF, DOI, and publisher-page sources are retained.
Structure, Stability, Spectroscopy and Chemical Bonding Analyses on the Novel X 6 (X = N, P, As, Sb, Bi) Molecules
AuthorsYu Cheng; Shu‐Wen Zhang; Xin‐Yu Dai; Yang‐Yang Zhang
Affiliations1. 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
AuthorsSatoshi Matsutani; Taichi Shomura; Nobuya Tsuji; Satoshi Maeda
Affiliations1. 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
AuthorsHaifeng Lang; Takeshi Sato
Affiliations1. 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
Integrating Coupled‐Cluster Theory Within AI Workflows for Accurate Molecular Geometries
AuthorsShahzad Akram; Konstantinos D. Vogiatzis
Affiliations1. Department of Chemistry University of Tennessee Knoxville Tennessee USA
Accelerated “On‐the‐Fly” Coupled‐Cluster Path‐Integral Molecular Dynamics: Impact of Nuclear Quantum Effects on An Asymmetric Proton
AuthorsThomas Spura; Hossam Elgabarty; Thomas D. Kühne
Affiliations1. 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
AuthorsJuda Baikété; Celestin Godwe Tcheombe; Alhadji Malloum; Jeanet Conradie
Affiliations1. 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
Mapping Trofinetide Polypharmacology in Rett Syndrome: A Multi‐Stage Computational Analysis
AuthorsLuis Felipe Hernández‐Ayala; Gabriel Eduardo Guzmán‐López; Annia Galano
Affiliations1. Departamento de Química Universidad Autónoma Metropolitana Unidad Iztapalapa Mexico City Mexico
Umpolung Character of Styrenes: Mechanism and Stereoselective Studies of α , β ‐Substituted Amino Acids Using Chiral Ir‐Phosphine Complexes
AuthorsBangaru Bhaskararao; Juliana J. Antonio; Elfi Kraka
Affiliations1. Department of Chemistry Southern Methodist University Dallas Texas USA
WFX Molecular Fragment References for Hirshfeld Charge‐Transfer Analysis in Non‐Covalent Complexes
AuthorsJorge Garza; Rubicelia Vargas
Affiliations1. Departamento de Química, División de Ciencias Básicas e Ingeniería Universidad Autónoma Metropolitana Iztapalapa Iztapalapa México
Fast and Accurate GPU ‐Accelerated Computation of Two‐Electron Four‐Center Coulomb Repulsion Integrals
AuthorsAvleen Kaur; William Chen; Gautam Kirshan Luhana; Lior Silberman; Mark Ewert; Alexandra Bünger; Ury Segal; Chen Greif
Affiliations1. 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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