Papers citing XMVB
981. Hui Lin; Lingpeng Meng; Xiaoyan Li; Yanli Zeng; Xueying Zhang, Comparison of pnicogen and tetrel bonds in complexes containing CX2 carbenes (X = F, Cl, Br, OH, OMe, NH2, and NMe2). New Journal of Chemistry 2019, 43(39), 15596-15604.
982. Junjing Gu; Wei Wu; Thijs Stuyver; David Danovich; Roald Hoffmann; Yuta Tsuji; Sason Shaik, Cross Conjugation in Polyenes and Related Hydrocarbons: What Can Be Learned from Valence Bond Theory about Single-Molecule Conductance?. Journal of the American Chemical Society 2019, 141(14), 6030-6047.
983. Martin Egli; Terry P. Lybrand, Enhanced Dispersion and Polarization Interactions Achieved through Dithiophosphate Group Incorporation Yield a Dramatic Binding Affinity Increase for an RNA Aptamer–Thrombin Complex. Journal of the American Chemical Society 2019, 141(10), 4445-4452.
984. Donald G. Truhlar; Philippe C. Hiberty; Sason Shaik; Mark S. Gordon; David Danovich, Orbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization Experiments. Angewandte Chemie International Edition 2019, 58(36), 12332-12338.
985. Ruijing Wang; Shubin Yang; Qingzhong Li, Coinage-Metal Bond between [1.1.1]Propellane and M2/MCl/MCH3 (M = Cu, Ag, and Au): Cooperativity and Substituents. Molecules 2019, 24(14), 2601-2601.
986. Xuhui Lin; Wei Wu; Yirong Mo, Agostic Interactions in Early Transition‐Metal Complexes: Roles of Hyperconjugation, Dispersion, and Steric Effect. Chemistry - A European Journal 2019, 25(26), 6591-6599.
987. Mengzhou Yang; Dajiang Huang; Haiming Wu; Hanyu Zhang; Pan An; Chengqian Yuan; Peifeng Su; Zhixun Luo, Unravelling the Weak Interactions in Binary Clusters of Serotonin and Amino Acid Residues. ChemistrySelect 2019, 4(34), 9978-9986.
988. Giovanni Bistoni, Finding chemical concepts in the Hilbert space: Coupled cluster analyses of noncovalent interactions. Wiley Interdisciplinary Reviews Computational Molecular Science 2019, 10(3).
989. Akshaya Kumar Das; Lars Urban; Itai Leven; Matthias Loipersberger; Abdulrahman Aldossary; Martin Head‐Gordon; Teresa Head‐Gordon, Development of an Advanced Force Field for Water Using Variational Energy Decomposition Analysis. Journal of Chemical Theory and Computation 2019, 15(9), 5001-5013.
990. Xia Sheng; Song Xue; Cleopatra Ashley Ngwenya; Yuyu Wang; Xiong Gao; Hailiang Zhao, Impact of neutral and acidic species on cycloalkenes nucleation. Structural Chemistry 2019, 30(4), 1415-1426.
991. Thijs Stuyver; David Danovich; Sason Shaik, Captodative Substitution Enhances the Diradical Character of Compounds, Reduces Aromaticity, and Controls Single-Molecule Conductivity Patterns: A Valence Bond Study. The Journal of Physical Chemistry A 2019, 123(32), 7133-7141.
992. Tiago Leyser da Costa Gouveia; Renan B. Campos; Ronny R. Ribeiro; Fábio Souza Nunes, DFT analysis of the linkage isomerism in penta(ammine)ruthenium(II/III) complexes of benzotriazole: Natural bond orbital method approach and a comprehensive energy decomposition analysis. Journal of Computational Chemistry 2019, 40(16), 1593-1598.
993. Fuming Ying; Chen Zhou; Peikun Zheng; Jiamin Luan; Peifeng Su; Wei Wu, λ-Density Functional Valence Bond: A Valence Bond-Based Multiconfigurational Density Functional Theory With a Single Variable Hybrid Parameter. Frontiers in Chemistry 2019.
994. Avijit Mondal; Kaushik Hatua; Prasanta K. Nandi, Second hyperpolarizability of diffuse-electron compounds M-NH3, M-NLi3 and M-NLi3-M of alkaline earth metals: Effect of lithiation. Journal of Molecular Graphics and Modelling 2019. 81-91.
995. Saber Mohammadi Chalanchi; Ali Ebrahimi; Alireza Nowroozi, Theoretical insight to intermolecular hydrogen bond interactions between methyl N-(2-pyridyl) carbamate and acetic acid: substituent effects, cooperativity and energy decomposition analysis. Bulgarian Chemical Communications 2019, 51(2), 224-233.
996. Shanti G. Patra, Basicity of N-heterocyclic carbene and its main-group analogues. Computational and Theoretical Chemistry 2019. 112557-112557.
997. Piotr Matczak; Grzegorz Mlostoń; Wolfgang Weigand, Ferrocenyl hetaryl thioketones: A computational study of their conformational stability. International Journal of Quantum Chemistry 2019, 119(24).
998. Mayank Khera; Neetu Goel, Qualitative as well as quantitative analysis of interactions present in chlorine and bromine substituted aromatic organic crystals: A DFT linked Crystal Explorer study. Journal of Molecular Graphics and Modelling 2019. 107503-107503.
999. Elena Shakirova; В. В. Кузнецов, Effect of Chemical Composition of Fullerenes on the Structure and Internal Rotation Barrier of Encapsulated Ammonia Borane Molecule. Russian Journal of General Chemistry 2019, 89(11), 2229-2234.
1000. Adnan Ali Khan; Mehdi D. Esrafili; Aziz Ahmad; Emily A. Hull; Rashid Ahmad; Saeed Ullah Jan; Iftikhar Ahmad, A computational study on the characteristics of open-shell H-bonding interaction between carbamic acid (NH2COOH) and HO2, HOS or HSO radicals. Journal of Molecular Modeling 2019, 25(7).