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942. 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 2019, 131(36), 12460-12466.

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

944. C. J. Smith; Anna Huff; Huaiyu Zhang; Yirong Mo; K. R. Leopold, A strong dependence of the CH3 internal rotation barrier on conformation in thioacetic acid: Microwave measurements and an energy decomposition analysis. The Journal of Chemical Physics 2019, 150(13).

945. Luís Rincón; F. Javier Torres; José R. Mora; Cesar H. Zambrano; Vladimir Rodríguez, A valence bond perspective of the reaction force formalism. Theoretical Chemistry Accounts 2019, 139(1).

946. 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.

947. Graham D. Fletcher; Colleen Bertoni; Murat Keçeli; Michael D’Mello, Valence: A Massively Parallel Implementation of the Variational Subspace Valence Bond Method. Journal of Computational Chemistry 2019, 40(17), 1664-1673.

948. Huaiyu Zhang; Rui Yuan; Wei Wu; Yirong Mo, Two Push–Pull Channels Enhance the Dinitrogen Activation by Borylene Compounds. Chemistry - A European Journal 2019, 26(12), 2619-2625.

949. 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. 2019.

950. 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.

951. 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.

952. 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.

953. 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).

954. Íñigo Iribarren; M. Merced Montero‐Campillo; Ibón Alkorta; José Elguero; David Quiñonero, Cations brought together by hydrogen bonds: the protonated pyridine–boronic acid dimer explained. Physical Chemistry Chemical Physics 2019, 21(10), 5796-5802.

955. 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.

956. 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).

957. Hailiang Zhao; Song Xue; Yingming Zhang; Xia Sheng, Molecular interaction between MeOH and genistein during soy extraction. RSC Advances 2019, 9(67), 39170-39179.

958. 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.

959. 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. 2019.

960. André L. Amorim; Marcos M. Peterle; Ana Guerreiro; Daniel F. Coimbra; Renata S. Heying; Giovanni F. Caramori; Antônio L. Braga; Adaı́lton J. Bortoluzzi; Ademir Neves; Gonçalo J. L. Bernardes; Rosely A. Peralta, Synthesis, characterization and biological evaluation of new manganese metal carbonyl compounds that contain sulfur and selenium ligands as a promising new class of CORMs. Dalton Transactions 2019, 48(17), 5574-5584.