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622. Wenbo Dong; Bingbo Niu; Shufeng Liu; Jianbo Cheng*; Shaoli Liu; Qingzhong Li*, Comparison of σ‐/π‐Hole Tetrel Bonds between TH3F/F2TO and H2CX (X=O, S, Se). ChemPhysChem 2019, 20(4), 627-635.

623. Renato P. Orenha; Giovanni F. Caramori; Alechania Misturini; Sérgio E. Galembeck, Shedding light on the electronic structure of [Ru(η6-C16H16)(NH3)3]2+ complex: a computational insight. Journal of Molecular Modeling 2019, 25(1).

624. 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.

625. Ran Friedman*, Simulations of Biomolecules in Electrolyte Solutions. Advanced Theory and Simulations 2019, 2(4).

626. Marija Baranac‐Stojanović*; Milovan Stojanović, The effect of two types of dibenzoannulation of pentalene on molecular energies and magnetically induced currents. Physical Chemistry Chemical Physics 2019, 21(6), 3250-3263.

627. Parham Asgari; Yuanda Hua; Apparao Bokka; Chanachon Thiamsiri; Watcharapon Prasitwatcharakorn; Ashif Karedath; Xin Chen; Sinjinee Sardar; Kyungsuk Yum; Gyu Leem; Brad S. Pierce; Kwangho Nam; Jiali Gao; Junha Jeon, Catalytic hydrogen atom transfer from hydrosilanes to vinylarenes for hydrosilylation and polymerization. Nature Catalysis 2019, 2(2), 164-173.

628. Lijuan Wang; Xiaoyan Li; Yanli Zeng; Lingpeng Meng; Xueying Zhang, Enhancing effects of π-hole tetrel bonds on the σ-hole interactions in complexes involving F2TO (T = Si, Ge, Sn). Structural Chemistry 2019, 30(4), 1301-1313.

629. Eric D. Glendening; Clark R. Landis; Frank Weinhold*, Resonance Theory Reboot. Journal of the American Chemical Society 2019, 141(10), 4156-4166.

630. Jingru Zhang; Qingze Hu; Qingzhong Li*; Steve Scheiner*; Shufeng Liu, Comparison of σ‐hole and π‐hole tetrel bonds in complexes of borazine with TH3F and F2TO/H2TO (T = C, Si, Ge). International Journal of Quantum Chemistry 2019, 119(11).

631. Ilya O. Glebov*; Maxim I. Kozlov; Vladimir V. Poddubnyy, Comparison of the Coulomb and non-orthogonal approaches to the construction of the exciton Hamiltonian. Computational and Theoretical Chemistry 2019. 12-18.

632. 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.

633. Zhongbo Wang; Beichen Shi; Neng‐Zhi Jin; Zhifei Zhang, Competitive hydrogen-bonding and halogen-bonding interactions in the dimerization of hypobromous acid (HOBr) molecules. Structural Chemistry 2019, 30(4), 1335-1341.

634. Thijs Stuyver*; David Danovich; Sason Shaik*, Insights into the Trends in the Acidity Strength of Organic and Inorganic Compounds: A Valence-Bond Perspective. The Journal of Physical Chemistry A 2019, 123(9), 1851-1860.

635. Jingru Zhang; Zhixin Wang; Shufeng Liu; Jianbo Cheng*; Wenzuo Li; Qingzhong Li*, Synergistic and diminutive effects between triel bond and regium bond: Attractive interactions between π‐hole and σ‐hole. Applied Organometallic Chemistry 2019, 33(4).

636. Jyoti Saini*; K. S. Viswanathan, From the propargyl alcohol–water complex to the propargyl alcohol dimer: where does the propargyl alcohol–methanol complex fit in?. New Journal of Chemistry 2019, 43(9), 3969-3980.

637. Pravin A. Mane; Sandip Dey*; Arup Kumar Pathak; Mukesh Kumar; Nattamai Bhuvanesh, Xantphos-Capped Pd(II) and Pt(II) Macrocycles of Aryldithiolates: Structural Variation and Catalysis in C–C Coupling Reaction. Inorganic Chemistry 2019, 58(5), 2965-2978.

638. Xiaoyong Zhang; Jeremy N. Harvey*, EVB and polarizable MM study of energy relaxation in fluorine–acetonitrile reactions. Physical Chemistry Chemical Physics 2019, 21(26), 14331-14340.

639. Dipak Kumar Sahoo; Subhrakant Jena; Juhi Dutta; Abhijit Rana; Himansu S. Biswal*, Nature and Strength of M–H···S and M–H···Se (M = Mn, Fe, & Co) Hydrogen Bond. The Journal of Physical Chemistry A 2019, 123(11), 2227-2236.

640. André Nicolai Petelski; Silvana Carina Pamies; Agustín Gabriel Sejas; Nélida M. Peruchena*; Gladis L. Sosa*, Impact of confinement in multimolecular inclusion compounds of melamine and cyanuric acid. Physical Chemistry Chemical Physics 2019, 21(16), 8205-8214.