1121. Zhifeng Li; Xiaoping Yang; Huixue Li; Guofang Zuo, Phosphorescent Modulation of Metallophilic Clusters and Recognition of Solvents through a Flexible Host-Guest Assembly: A Theoretical Investigation. Nanomaterials 2018, 8(9), 685-685.

1122. Haoqing Chen; Chirine Soubra‐Ghaoui; Zhiling Zhu; Siheng Li; Thomas A. Albright; Chengzhi Cai, Isolation of an acetylide-CuI3-tris(triazolylmethyl)amine complex active in the CuAAC reaction. Journal of Catalysis 2018. 407-413.

1123. Jia Wang; Jingfei Chen; Jingwen Li; Liaoyuan An; Yefei Wang; Qingshan Huang; Lishan Yao, Arginine side chain stacking with peptide plane stabilizes the protein helix conformation in a cooperative way. Proteins Structure Function and Bioinformatics 2018, 86(6), 684-692.

1124. Marcia Parente Melo da Costa; Letícia Maia Prates; Leonardo Baptista; Maurício T. M. Cruz; Ivana Lourenço de Mello Ferreira, Interaction of polyelectrolyte complex between sodium alginate and chitosan dimers with a single glyphosate molecule: A DFT and NBO study. Carbohydrate Polymers 2018. 51-60.

1125. Ginny Karir; Gaurav Kumar; Bishnu Prasad Kar; K. S. Viswanathan, Multiple Hydrogen Bond Tethers for Grazing Formic Acid in Its Complexes with Phenylacetylene. The Journal of Physical Chemistry A 2018, 122(8), 2046-2059.

1126. KwangHyok Jong; Narjes Ansari; Luca Grisanti; Ali Hassanali, Understanding the quantum mechanical properties of hydrogen bonds in solvated biomolecules from cluster calculations. Journal of Molecular Liquids 2018. 501-509.

1127. Qinghui Ge; Yuezhi Mao; Martin Head‐Gordon, Energy decomposition analysis for exciplexes using absolutely localized molecular orbitals. The Journal of Chemical Physics 2018, 148(6).

1128. Wenbo Dong; Yanqing Wang; Xin Yang; Jianbo Cheng; Qingzhong Li, Dual function of the boron center of BH(CO)2/BH(N2)2 in halogen- and triel-bonded complexes with hypervalent halogens. Journal of Molecular Graphics and Modelling 2018. 118-124.

1129. Lili Yang; Xin Chen; Zexing Qu; Jiali Gao, Combined Multistate and Kohn-Sham Density Functional Theory Studies of the Elusive Mechanism of N-Dealkylation of N,N-Dimethylanilines Mediated by the Biomimetic Nonheme Oxidant FeIV(O)(N4Py)(ClO4)2. Frontiers in Chemistry 2018.

1130. Rodrigo M. Pontes, Basicity of amines and some related compounds from energy decomposition analysis. Computational and Theoretical Chemistry 2018. 63-72.

1131. Manuel Páez Meza; Dairo Pérez Sotelo; María Vergara Hernández; Enoc Arciria Pico; Said Figueredo López, Viscometric, thermodynamic and theoretical DFT studies of dl-2-aminobutyric acid in aqueous sodium nitrate solutions at different temperatures. Journal of Molecular Liquids 2018. 599-609.

1132. Xuhui Lin; Wei Wu; Kenneth B. Wiberg; Yirong Mo, Role of Intramolecular Electron Delocalization in the C–X Bond Strength in CH4-nXn (n = 0–4, X = F, Cl, CN, OCH3). The Journal of Physical Chemistry A 2018, 122(38), 7716-7722.

1133. Huaiyu Zhang; Chen Zhou; Yirong Mo; Wei Wu, Performance of the VBSCF method for pericyclic and π bond shift reactions. Journal of Computational Chemistry 2018, 40(10), 1123-1129.

1134. Elena Shakirova; В. В. Кузнецов, COMPUTER SIMULATION OF INTERNAL ROTATION AROUND B-N BOND IN AMINOBORANE. 2018.

1135. Fangling Yang; Xing Yang; Ruizhi Wu; Chaoxian Yan; Fan Yang; Weichun Ye; Liangwei Zhang; Panpan Zhou, Intermolecular interactions between σ- and π-holes of bromopentafluorobenzene and pyridine: computational and experimental investigations. Physical Chemistry Chemical Physics 2018, 20(16), 11386-11395.

1136. Wenbo Dong; Yu Wang; Jianbo Cheng; Xin Yang; Qingzhong Li, Competition between σ-hole pnicogen bond and π-hole tetrel bond in complexes of CF2=CFZH2 (Z = P, As, and Sb). Molecular Physics 2018, 117(3), 251-259.

1137. Akshaya Kumar Das; Omar Demerdash; Teresa Head‐Gordon, Improvements to the AMOEBA Force Field by Introducing Anisotropic Atomic Polarizability of the Water Molecule. Journal of Chemical Theory and Computation 2018, 14(12), 6722-6733.

1138. Huaiyu Zhang; Chen Zhou; Yirong Mo; Wei Wu, Performance of the VBSCF method for pericyclic and π bond shift reactions. Journal of Computational Chemistry 2018, 40(10), 1123-1129.

1139. Malte Fugel; Florian Kleemiss; Lorraine A. Malaspina; Rumpa Pal; Peter R. Spackman; Dylan Jayatilaka; Simon Grabowsky, Investigating the Resonance in Nitric Acid and the Nitrate Anion Based on a Modern Bonding Analysis. Australian Journal of Chemistry 2018, 71(4), 227-227.

1140. Xuhui Lin; Xiao‐Yu Jiang; Wei Wu; Yirong Mo, Induction, Resonance, and Secondary Electrostatic Interaction on Hydrogen Bonding in the Association of Amides and Imides. The Journal of Organic Chemistry 2018, 83(21), 13446-13453.