1041. Saber Mohammadi Chalanchi; Ali Ebrahimi; Alireza Nowroozi, Complexes of damirone A/C, batzelline A/D, makaluvamine O and makaluvone with guanidinium and magnesium cations: a theoretical study. Structural Chemistry 2019, 30(5), 1635-1646.

1042. Changmin Lee; Taecheon Lyu; Cheol Ho Choi; Taiha Joo, Symmetry-breaking charge transfer dynamics of 9,9’-bianthracene revealed by experiment and theory. EPJ Web of Conferences 2019. 09008-09008.

1043. Chen Zhou; Chenyu Zeng; Bo Ma; Fuming Ying; Zhenhua Chen; Wei Wu, Novel implementation of seniority number truncated valence bond methods with applications to H22 chain. The Journal of Chemical Physics 2019, 151(19).

1044. Bilal Ahmad Shiekh; Damanjit Kaur; Rajinder Kaur, Probing non-covalent interactions of phosphine and arsine derivatives: an energy decomposition analysis using localized molecular orbitals. Structural Chemistry 2019, 30(6), 2191-2204.

1045. 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.

1046. 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.

1047. Ronald González; María Andrea Mroginski, Fully Quantum Chemical Treatment of Chromophore–Protein Interactions in Phytochromes. The Journal of Physical Chemistry B 2019, 123(46), 9819-9830.

1048. 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.

1049. 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.

1050. Congjie Zhang; Zhimin Wang; Jinshuai Song; Chunsen Li; Yirong Mo, Bonding and Diels–Alder reactions of substituted 2-borabicyclo(1.1.0)but-1(3)-enes: a theoretical study. Theoretical Chemistry Accounts 2019, 138(9).

1051. 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.

1052. Mingxing Ren; Bo Ma; Zhenhua Chen; Wei Wu, Two-Dimensional Analysis of the Diabatic Transition of a General Vectorial Physical Observable Based on Adiabatic-to-Diabatic Transformation. The Journal of Physical Chemistry Letters 2019, 10(19), 5868-5872.

1053. 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.

1054. 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.

1055. Matthias Loipersberger; Joonho Lee; Yuezhi Mao; Akshaya Kumar Das; Kevin Ikeda; Jonathan Thirman; Teresa Head‐Gordon; Martin Head‐Gordon, Energy Decomposition Analysis for Interactions of Radicals: Theory and Implementation at the MP2 Level with Application to Hydration of Halogenated Benzene Cations and Complexes between CO2–· and Pyridine and Imidazole. The Journal of Physical Chemistry A 2019, 123(44), 9621-9633.

1056. Chao Wang; David Danovich; Hui Chen; Sason Shaik, Oriented External Electric Fields: Tweezers and Catalysts for Reactivity in Halogen-Bond Complexes. Journal of the American Chemical Society 2019, 141(17), 7122-7136.

1057. 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.

1058. Axel Wuttke; Milica Feldt; Ricardo A. Mata, All That Binds Is Not Gold—The Relative Weight of Aurophilic Interactions in Complex Formation. The Journal of Physical Chemistry A 2018, 122(34), 6918-6925.

1059. Jingwen Li; Yefei Wang; Liaoyuan An; Jingfei Chen; Lishan Yao, Direct Observation of CH/CH van der Waals Interactions in Proteins by NMR. Journal of the American Chemical Society 2018, 140(9), 3194-3197.

1060. Subhrajyoti Bhandary; Abhishek Sirohiwal; Rahul Kadu; Sangit Kumar; Deepak Chopra, Dispersion Stabilized Se/Te···π Double Chalcogen Bonding Synthons in in Situ Cryocrystallized Divalent Organochalcogen Liquids. Crystal Growth & Design 2018, 18(7), 3734-3739.