1081.
Kaushik Hatua; Avijit Mondal; Prasanta K. Nandi, Static second hyperpolarizability of inverse sandwich compounds (M1–C5H5–M2) of alkali (M1 = Li, Na, K) and alkaline earth metals (M2 = Be, Mg, Ca).
Physical Chemistry Chemical Physics 2018,
20(19),
13331-13339.
1082.
Mark A. Spackman, Intermolecular interactions in crystals of small unsubstituted cyclic ethers and substituted epoxides.
Zeitschrift für Kristallographie - Crystalline Materials 2018,
233(9-10),
641-648.
1083.
Eduardo M. Sproviero, Intramolecular Natural Energy Decomposition Analysis: Applications to the Rational Design of Foldamers.
Journal of Computational Chemistry 2018,
39(20),
1367-1386.
1084.
Jingjing Wu; Xin Liu; Yulei Hao; Hongjiang Chen; Peifeng Su; Wei Wu; Jun Zhu, σ‐Aromaticity in a Fully Unsaturated Ring.
Chemistry - An Asian Journal 2018,
13(23),
3691-3696.
1085.
Hui‐Li Xu; Qingzhong Li; Steve Scheiner, Effect of Magnesium Bond on the Competition Between Hydrogen and Halogen Bonds and the Induction of Proton and Halogen Transfer.
ChemPhysChem 2018,
19(12),
1456-1464.
1086.
Ahmet Altun; Frank Neese; Giovanni Bistoni, Effect of Electron Correlation on Intermolecular Interactions: A Pair Natural Orbitals Coupled Cluster Based Local Energy Decomposition Study.
Journal of Chemical Theory and Computation 2018,
15(1),
215-228.
1087.
Xuhui Lin; Xin Liu; Fuming Ying; Zhenhua Chen; Wei Wu, Explicit construction of diabatic state and its application to the direct evaluation of electronic coupling.
The Journal of Chemical Physics 2018,
149(4).
1088.
Yang Zhang; SF Chen; Fuming Ying; Peifeng Su; Wei Wu, Valence Bond Based Energy Decomposition Analysis Scheme and Its Application to Cation−π Interactions.
The Journal of Physical Chemistry A 2018,
122(27),
5886-5894.
1089.
David Danovich; Cina Foroutan‐Nejad; Philippe C. Hiberty; Sason Shaik, Nature of the Three-Electron Bond.
The Journal of Physical Chemistry A 2018,
122(7),
1873-1885.
1090.
Olga A. Stasyuk; Róbert Sedlák; Célia Fonseca Guerra; Pavel Hobza, Comparison of the DFT-SAPT and Canonical EDA Schemes for the Energy Decomposition of Various Types of Noncovalent Interactions.
Journal of Chemical Theory and Computation 2018,
14(7),
3440-3450.
1091.
Ángel Martín Pendás; E. Francisco, Decoding real space bonding descriptors in valence bond language.
Physical Chemistry Chemical Physics 2018,
20(18),
12368-12372.
1092.
В. В. Кузнецов, Ammonia Borane in Nanotubes: The Preference of Eclipsed Conformation.
Russian Journal of Inorganic Chemistry 2018,
63(8),
1069-1075.
1093.
Darío J. R. Duarte; Gabriel J. Buralli; Nélida M. Peruchena, Is σ-hole an electronic exchange channel in YX⋯CO interactions?.
Chemical Physics Letters 2018.
113-117.
1094.
Eric Michoulier; Jennifer A. Noble; Aude Simon; Joëlle Mascetti; Céline Toubin, Adsorption of PAHs on interstellar ice viewed by classical molecular dynamics.
Physical Chemistry Chemical Physics 2018,
20(13),
8753-8764.
1095.
Malte Fugel; Jens Beckmann; Dylan Jayatilaka; G. V. Gibbs; Simon Grabowsky, A Variety of Bond Analysis Methods, One Answer? An Investigation of the Element−Oxygen Bond of Hydroxides HnXOH.
Chemistry - A European Journal 2018,
24(23),
6248-6261.
1096.
Mo Xie; Wei Lu, Theoretical insights into intermolecular interactions during d8 organometallic self-aggregation.
Dalton Transactions 2018,
48(4),
1275-1283.
1097.
Wenbo Dong; Qingzhong Li; Steve Scheiner, Comparative Strengths of Tetrel, Pnicogen, Chalcogen, and Halogen Bonds and Contributing Factors.
Molecules 2018,
23(7),
1681-1681.
1098.
Eric D. Glendening; Frank Weinhold, Efficient evaluation of poly-electron populations in natural bond orbital analysis.
Chemical Physics Letters 2018.
23-26.
1099.
Huaiyu Zhang; Zexing Cao; Wei Wu; Yirong Mo, The Transition‐Metal‐Like Behavior of B2(NHC)2 in the Activation of CO: HOMO–LUMO Swap Without Photoinduction.
Angewandte Chemie International Edition 2018,
57(40),
13076-13081.
1100.
Yang Zhang; SF Chen; Fuming Ying; Peifeng Su; Wei Wu, Valence Bond Based Energy Decomposition Analysis Scheme and Its Application to Cation−π Interactions.
The Journal of Physical Chemistry A 2018,
122(27),
5886-5894.