681. 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.

682. Shanti G. Patra*, Basicity of N-heterocyclic carbene and its main-group analogues. Computational and Theoretical Chemistry 2019. 112557-112557.

683. 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.

684. Piotr Matczak*; Grzegorz Mlostoń; Wolfgang Weigand, Ferrocenyl hetaryl thioketones: A computational study of their conformational stability. International Journal of Quantum Chemistry 2019, 119(24).

685. Riddhish Pandharkar; Matthew R. Hermes; Christopher J. Cramer; Laura Gagliardi*, Spin-State Ordering in Metal-Based Compounds Using the Localized Active Space Self-Consistent Field Method. The Journal of Physical Chemistry Letters 2019, 10(18), 5507-5513.

686. 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).

687. Mingchang Hou; Yanqing Wang; Shubin Yang; Qingzhong Li, Halogen bond between hypervalent halogens YF3/YF5 (Y=Cl, Br, I) and H2X (X= O, S, Se). Molecular Physics 2019, 118(7), e1656834-e1656834.

688. Giovanni Bistoni*, Finding chemical concepts in the Hilbert space: Coupled cluster analyses of noncovalent interactions. Wiley Interdisciplinary Reviews Computational Molecular Science 2019, 10(3).

689. Zongqing Chi; Qingzhong Li*; Hai‐Bei Li*, Comparison of triel bonds with different chalcogen electron donors: Its dependence on triel donor and methyl substitution. International Journal of Quantum Chemistry 2019, 120(1).

690. 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.

691. 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.

692. Melisa Alkan; Peng Xu; Mark S. Gordon*, Many-Body Dispersion in Molecular Clusters. The Journal of Physical Chemistry A 2019, 123(39), 8406-8416.

693. Xiaoping Yang; Huixue Li; Kun Yuan; Guofang Zuo*; Zhifeng Li*, The mutual noncovalent interactions based on metallophilic cluster and anions: A theoretical investigation of the molecular structure and spectroscopic properties of Host–Guest complexes. Journal of Theoretical and Computational Chemistry 2019, 18(06), 1950028-1950028.

694. 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.

695. Miguel Morales-Toyo*; Néstor Cubillán; Christopher Glidewell; Luis E. Seijas; Katerin Boscán-Meleán; Jelem Restrepo*, Synthesis, crystal structure, and non-covalent interactions in 4-hydrazinobenzoic acid hydrochloride. Journal of Molecular Structure 2019. 127154-127154.

696. 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.

697. Saptarshi Sarkar; Monu Monu; Biman Bandyopadhyay*, Cooperative nature of the sulfur centered hydrogen bond: investigation of (H2S)n (n = 2–4) clusters using an affordable yet accurate level of theory. Physical Chemistry Chemical Physics 2019, 21(45), 25439-25448.

698. Natalia Díaz*; Fernando Jiménez‐Grávalos; Dimas Suárez; E. Francisco; Ángel Martín Pendás, Fluorine conformational effects characterized by energy decomposition analysis. Physical Chemistry Chemical Physics 2019, 21(45), 25258-25275.

699. Xuhui Lin; Wei Wu; Yirong Mo*, How Resonance Modulates Multiple Hydrogen Bonding in Self-Assembled Systems. The Journal of Organic Chemistry 2019, 84(22), 14805-14815.

700. Piotr Matczak*; Grzegorz Mlostoń; Róża Hamera‐Fałdyga; Helmar Görls; Wolfgang Weigand, Structure of Diferrocenyl Thioketone: From Molecule to Crystal. Molecules 2019, 24(21), 3950-3950.