1541.
Zhenhua Chen; Chen Zhou; Wei Wu, Seniority Number in Valence Bond Theory.
Journal of Chemical Theory and Computation 2015,
11(9),
4102-4108.
1542.
Jonathan Thirman; Martin Head‐Gordon, An energy decomposition analysis for second-order Møller–Plesset perturbation theory based on absolutely localized molecular orbitals.
The Journal of Chemical Physics 2015,
143(8).
1543.
Mehdi D. Esrafili; Fariba Mohammadian‐Sabet, An ab initio study on chalcogen–chalcogen bond interactions in cyclic (SHX)3 complexes (X=F, Cl, CN, NC, CCH, OH, OCH3, NH2).
Chemical Physics Letters 2015.
71-75.
1544.
Ester Jiménez‐Moreno; Gonzalo Jiménez‐Osés; Ana M. Gómez; Andrés G. Santana; Francisco Corzana; Ágatha Bastida; Jesús Jiménez‐Barbero; Juan Luis Asensio, A thorough experimental study of CH/π interactions in water: quantitative structure–stability relationships for carbohydrate/aromatic complexes.
Chemical Science 2015,
6(11),
6076-6085.
1545.
Avital Sharir‐Ivry; Rajapandian Varatharaj; Avital Shurki, Valence Bond and Enzyme Catalysis: A Time To Break Down and a Time To Build Up.
Chemistry - A European Journal 2015,
21(19),
7159-7169.
1546.
Mehdi D. Esrafili; Fariba Mohammadian‐Sabet, Exploring σ-hole bonding in XH3Si···HMY (X=H, F, CN; M=Be, Mg; Y=H, F, CH3) complexes: a “tetrel-hydride” interaction.
Journal of Molecular Modeling 2015,
21(3).
1547.
Meng Gao; Qingzhong Li; Hai‐Bei Li; Wenzuo Li; Jianbo Cheng, How do organic gold compounds and organic halogen molecules interact? Comparison with hydrogen bonds.
RSC Advances 2015,
5(17),
12488-12497.
1548.
Xin Guo; Qingzhong Li; Bo Xiao; Xin Yang; Wenzuo Li; Jianbo Cheng, Influence of F and Se substitution on the structures, stabilities and nature of the complexes between F2CSe and HOX (X = F, Cl, Br, and I).
RSC Advances 2015,
5(65),
52667-52675.
1549.
Daniel Garcez Santos Quattrociocchi; Gláucio B. Ferreira; Leonardo Moreira da Costa; José Walkimar de M. Carneiro, DFT studies of the interactions between the [Ca(H 2 O) 5 ] 2+ cation and monofunctional oxo, aza, sulfur and phosphorous ligands.
Computational and Theoretical Chemistry 2015.
104-110.
1550.
Meng Gao; Qingzhong Li; Jianbo Cheng; Wenzuo Li; Hai‐Bei Li, Complicated synergistic effects between metal–π interaction and halogen bonding involving MCCX.
RSC Advances 2015,
5(127),
105160-105168.
1551.
Xin Guo; Xiulin An; Qingzhong Li, Se···N Chalcogen Bond and Se···X Halogen Bond Involving F2C═Se: Influence of Hybridization, Substitution, and Cooperativity.
The Journal of Physical Chemistry A 2015,
119(14),
3518-3527.
1552.
Ginny Karir; K. S. Viswanathan, Phenylacetylene–water complex: Is it n⋯σ or H⋯π in the matrix?.
Journal of Molecular Structure 2015.
145-156.
1553.
Richard Julian Azar, LOCAL CORRELATION MODELS AND APPLICATIONS IN ELECTRONIC STRUCTURE THEORY.
2015.
1554.
Feng Wang; Shawkat Islam; Vladislav Vasilyev, Ferrocene Orientation Determined Intramolecular Interactions Using Energy Decomposition Analysis.
Materials 2015,
8(11),
7723-7737.
1555.
Steve Scheiner, Introduction to the Volume.
Challenges and advances in computational chemistry and physics 2015.
1-11.
1556.
Mehdi D. Esrafili; Fariba Mohammadian‐Sabet, Does single-electron chalcogen bond exist? Some theoretical insights.
Journal of Molecular Modeling 2015,
21(3).
1557.
Steven M. Valone; Krishna Muralidharan; Keith Runge, Interatomic Potentials Including Chemistry.
Springer series in materials science 2015.
107-194.
1558.
Meng Gao; Jianbo Cheng; Xin Yang; Wenzuo Li; Bo Xiao; Qingzhong Li, Influence of substituents on the nature of metal⋯π interaction and its cooperativity with halogen bond.
The Journal of Chemical Physics 2015,
143(5).
1559.
Miguel Ponce‐Vargas; Álvaro Muñoz-Castro, Metal containing cryptands as hosts for anions: evaluation of Cu(i)⋯X and π⋯X interactions in halide–tricopper(i) complexes through relativistic DFT calculations.
Physical Chemistry Chemical Physics 2015,
17(28),
18677-18683.
1560.
Kanupriya Verma; Kapil Dave; K. S. Viswanathan, Hydrogen-Bonded Complexes of Phenylacetylene–Acetylene: Who is the Proton Donor?.
The Journal of Physical Chemistry A 2015,
119(51),
12656-12664.