Papers citing XMVB
661. 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.
662. 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. arXiv (Cornell University) 2019.
663. Mingchang Hou; Qingzhong Li*; Steve Scheiner*, Comparison between Hydrogen and Halogen Bonds in Complexes of 6‐OX‐Fulvene with Pnicogen and Chalcogen Electron Donors. ChemPhysChem 2019, 20(15), 1978-1984.
664. Changwei Wang*; Yirong Mo*, Classical Electrostatic Interaction Is the Origin for Blue-Shifting Halogen Bonds. Inorganic Chemistry 2019, 58(13), 8577-8586.
665. Fengxiang Zhou; Yuan Liu; Zhaoxu Wang*; Tian Lu; Qingyuan Yang*; Yi Liu; Baishu Zheng*, A new type of halogen bond involving multivalent astatine: an ab initio study. Physical Chemistry Chemical Physics 2019, 21(28), 15310-15318.
666. Mingchang Hou; Kunyu Jin; Qingzhong Li*; Shufeng Liu, Systematic study of the substitution effect on the tetrel bond between 1,4-diazabicyclo[2.2.2]octane and TH3X. RSC Advances 2019, 9(32), 18459-18466.
667. Kamal K. Mishra; Santosh K. Singh; Satish Kumar; Gulzar Singh; Biplab Sarkar*; M. S. Madhusudhan*; Aloke Das*, Water-Mediated Selenium Hydrogen-Bonding in Proteins: PDB Analysis and Gas-Phase Spectroscopy of Model Complexes. The Journal of Physical Chemistry A 2019, 123(28), 5995-6002.
668. José Luis Casals‐Sainz; Aurora Costales; E. Francisco; Ángel Martín Pendás*, Tetrel Interactions from an Interacting Quantum Atoms Perspective. Molecules 2019, 24(12), 2204-2204.
669. Kasimir P. Gregory; Grant B. Webber; Erica J. Wanless; Alister J. Page*, Lewis Strength Determines Specific-Ion Effects in Aqueous and Nonaqueous Solvents. The Journal of Physical Chemistry A 2019, 123(30), 6420-6429.
670. 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).
671. Martin Stöhr; Troy Van Voorhis; Alexandre Tkatchenko*, Theory and practice of modeling van der Waals interactions in electronic-structure calculations. Chemical Society Reviews 2019, 48(15), 4118-4154.
672. Juán Andrés; Paul W. Ayers; Roberto A. Boto; Ramon Carbó‐Dorca; Henry Chermette; Jerzy Ciosłowski; Julia Contreras‐García; David L. Cooper; Gernot Frenking; Carlo Gatti; Farnaz Heidar‐Zadeh; Laurent Joubert; Ángel Martín Pendás; Eduard Matito; I. Mayer; Alston J. Misquitta; Yirong Mo; Julien Pilmé; Paul L. A. Popelier; Martin Rahm; Eloy Ramos‐Cordoba; Pedro Salvador; W. H. Eugen Schwarz; Shant Shahbazian; Bernard Silvi; Miquel Solà; Krzysztof Szalewicz; Vincent Tognetti; Frank Weinhold; Émilie‐Laure Zins, Nine questions on energy decomposition analysis. Journal of Computational Chemistry 2019, 40(26), 2248-2283.
673. Bin Wang; Donghai Yu; Dongbo Zhao*; Chunying Rong*; Shubin Liu*, Nature and origin of γ-gauche effect in sulfoxides: A density functional theory and information-theoretic approach study. Chemical Physics Letters 2019. 451-459.
674. Hamza Triki; Balázs Nagy; Jacob Overgaard; Frank Jensen; S. Kamoun, Structure, DFT based investigations on vibrational and nonlinear optical behavior of a new guanidinium cobalt thiocyanate complex. Structural Chemistry 2019, 31(1), 103-114.
675. Zhefeng Xu; Yan Li, Triel bonds in RZH2···NH3: hybridization, solvation, and substitution. Journal of Molecular Modeling 2019, 25(8).
676. 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.
677. Mengzhou Yang; Haiming Wu; Benben Huang; Zhixun Luo*, Cluster−π Interactions Cause Size-Selective Reactivity of Cationic Silver Clusters with Acetylene: The Distinctive Ag7+[C2H2]. The Journal of Physical Chemistry A 2019, 123(32), 6921-6926.
678. Qingqing Jia; Hai‐Bei Li*; Mo Luo; Jingjing Wang, Effects of Electronic Structure of Adjacent Carbon on the Strength of C─F⋯H─F Organofluorine Hydrogen Bonds. Journal of Computational Chemistry 2019, 40(28), 2473-2481.
679. 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.
680. Zongqing Chi; Tong Yan; Qingzhong Li*; Steve Scheiner*, Violation of Electrostatic Rules: Shifting the Balance between Pnicogen Bonds and Lone Pair−π Interactions Tuned by Substituents. The Journal of Physical Chemistry A 2019, 123(33), 7288-7295.