641. Martin Egli*; Terry P. Lybrand*, Enhanced Dispersion and Polarization Interactions Achieved through Dithiophosphate Group Incorporation Yield a Dramatic Binding Affinity Increase for an RNA Aptamer–Thrombin Complex. Journal of the American Chemical Society 2019, 141(10), 4445-4452.

642. 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.

643. Tommaso Francese; Fernando Mota; Mercè Deumal; Juan J. Novoa; Remco W. A. Havenith; Ria Broer; Jordi Ribas‐Ariño*, Reorganization of Intermolecular Interactions in the Polymorphic Phase Transition of a Prototypical Dithiazolyl-Based Bistable Material. Crystal Growth & Design 2019, 19(4), 2329-2339.

644. Piotr Matczak*, N → Sn coordination in the complexes of tin halides with pyridine: A comparison between Sn(II) and Sn(IV). Applied Organometallic Chemistry 2019, 33(4).

645. Tiago Leyser da Costa Gouveia; Renan B. Campos; Ronny R. Ribeiro; Fábio Souza Nunes*, DFT analysis of the linkage isomerism in penta(ammine)ruthenium(II/III) complexes of benzotriazole: Natural bond orbital method approach and a comprehensive energy decomposition analysis. Journal of Computational Chemistry 2019, 40(16), 1593-1598.

646. Xuhui Lin; Wei Wu; Yirong Mo*, Agostic Interactions in Early Transition‐Metal Complexes: Roles of Hyperconjugation, Dispersion, and Steric Effect. Chemistry - A European Journal 2019, 25(26), 6591-6599.

647. 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.

648. 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.

649. 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.

650. Yanzhi Liu*; Lingling Lv; Huixue Li; Zhifeng Li; Kun Yuan*, A theoretical insight into several common anion recognitions based on double‐dentate hydrogen bond and anion‐π coexistence. Journal of Physical Organic Chemistry 2019, 32(8).

651. 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).

652. 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.

653. Chunying Rong; Dongbo Zhao; Tianjing Zhou; Siyuan Liu; Donghai Yu; Shubin Liu*, Homogeneous Molecular Systems are Positively Cooperative, but Charged Molecular Systems are Negatively Cooperative. The Journal of Physical Chemistry Letters 2019, 10(8), 1716-1721.

654. 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.

655. 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.

656. 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.

657. 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.

658. Marija Baranac‐Stojanović*; Milovan Stojanović, Does aromaticity account for an enhanced thermodynamic stability? The case of monosubstituted azaborines and the stereoelectronic chameleonism of the NH2 group. Physical Chemistry Chemical Physics 2019, 21(18), 9465-9476.

659. Changwei Wang*; Yama Aman; Xiaoxi Ji; Yirong Mo*, Tetrel bonding interaction: an analysis with the block-localized wavefunction (BLW) approach. Physical Chemistry Chemical Physics 2019, 21(22), 11776-11784.

660. 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.