1321.
Mehdi D. Esrafili; Mohammad Solimannejad, On the strength and nature of intermolecular X···O interactions in CF2ClBr−O3 complexes (X = F, Cl, Br): an ab initio investigation.
Canadian Journal of Chemistry 2013,
92(1),
33-39.
1322.
Leonardo Moreira da Costa; Stanislav R. Stoyanov; Raimundo Damasceno; José Walkimar de M. Carneiro*, Density functional theory investigation of the binding interactions between phosphoryl, carbonyl, imino, and thiocarbonyl ligands and the pentaaqua nickel(II) complex: Coordination affinity and associated parameters.
International Journal of Quantum Chemistry 2013,
113(24),
2621-2628.
1323.
Likai Du; Jun Gao; Fuzhen Bi; Lili Wang; Chengbu Liu, A polarizable ellipsoidal force field for halogen bonds.
Journal of Computational Chemistry 2013,
34(23),
2032-2040.
1324.
Deboprosad Mondal; Song Ye Li; Luca Bellucci; Teodoro Laino; Andrea Tafi; Salvatore Guccione; Salvatore D. Lepore, Stereoretentive Chlorination of Cyclic Alcohols Catalyzed by Titanium(IV) Tetrachloride: Evidence for a Front Side Attack Mechanism.
The Journal of Organic Chemistry 2013,
78(5),
2118-2127.
1325.
Mehdi D. Esrafili; Parvin Esmailpour; Fariba Mohammadian‐Sabet; Mohammad Solimannejad, Substituent effects on cooperativity between lithium bonds.
International Journal of Quantum Chemistry 2013,
114(4),
295-301.
1326.
Melina A. Mondelli; Angélica E. Graminha; Rodrigo S. Corrêa; Monize M. da Silva; Andréa P. Carnizello; Gustavo Von Poelhsitz; Javier Ellena; Victor M. Deflon; Giovanni F. Caramori; Marı́a H. Torre; Denise Crispim Tavares; Alzir A. Batista, Ruthenium(II)/4,6-dimethyl-2-mercaptopyrimidine complexes: Synthesis, characterization, X-ray structures and in vitro cytotoxicity activities on cancer cell lines.
Polyhedron 2013.
312-318.
1327.
Mehdi Zamani; Hossein A. Dabbagh, Quantitative analysis of intermolecular forces for hydrogen bond driven self-assembly of resorcinol and bis(pyridine) substituted ethylene cocrystals, before and after [2 + 2] dimerization.
Structural Chemistry 2013,
24(5),
1597-1605.
1328.
Mehdi D. Esrafili; Parisa Juyban; Mohammad Solimannejad, Exploring lithium bonding interactions between noble-gas hydrides HXeY and LiX molecules (Y=H, CN, NC and X=H, CN, NC, OH, NH2, CH3): A theoretical study.
Computational and Theoretical Chemistry 2013.
84-90.
1329.
Mehdi D. Esrafili; Fariba Mohammadian‐Sabet; Parvin Esmailpour, Theoretical study on cooperative effects between X⋯N and X⋯Carbene halogen bonds (X = F,Cl,Br and I).
Journal of Molecular Modeling 2013,
19(11),
4797-4804.
1330.
Santosh K. Singh; Sumit Kumar; Aloke Das, Competition between n → πAr* and conventional hydrogen bonding (N–H⋯N) interactions: an ab initio study of the complexes of 7-azaindole and fluorosubstituted pyridines.
Physical Chemistry Chemical Physics 2013,
16(19),
8819-8827.
1331.
Jie Xu; Lin Xu*; Mingbiao Xu; Zhao Lin; Xiaoming Wu*; Shou‐chen Wen; Wei‐hong Liu, Theoretical analyses of the host–guest interaction within chlorine hydrate.
International Journal of Quantum Chemistry 2013,
113(19),
2228-2233.
1332.
Mohammad Solimannejad; Mohaddeseh Rabbani; Mehdi D. Esrafili, Toward understanding the role of water molecules in the uptake of nitrosyl hydride by sulfuric acid aerosols: A computational study.
Computational and Theoretical Chemistry 2013.
78-84.
1333.
Masaki Okoshi; Yuki Yamada; Atsuo Yamada; Hiromi Nakai, Theoretical Analysis on De-Solvation of Lithium, Sodium, and Magnesium Cations to Organic Electrolyte Solvents.
Journal of The Electrochemical Society 2013,
160(11),
A2160-A2165.
1334.
Feng Yu*, Intermolecular interactions of formic acid with benzene: Energy decomposition analyses with ab initio MP2 and double‐hybrid density functional computations.
International Journal of Quantum Chemistry 2013,
113(21),
2355-2360.
1335.
Zhenhua Chen; Xun Chen; Wei Wu, Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. I. Hamiltonian matrix elements between internally contracted excited valence bond wave functions.
The Journal of Chemical Physics 2013,
138(16).
1336.
Б. Ф. Щеголев*; Michael L. McKee; А. В. Журавлев; Е. В. Савватеева-Попова, Analysis of intermolecular interaction energy inputs in benzene-imidazole and imidazole-imidazole systems in parallel displaced and T-configuration.
BIOPHYSICS 2013,
58(3),
355-360.
1337.
Mohammad Solimannejad; Zahra Rezaei; Mehdi D. Esrafili, Interplay and competition between the lithium bonding and halogen bonding: R3C···XCN···LiCN and R3C···LiCN···XCN as a working model (R = H, CH3; X = Cl, Br).
Molecular Physics 2013,
112(13),
1783-1788.
1338.
Padeleimon Karafiloglou; Katerina Kyriakidou, Unpaired electrons at the second‐order reduced density matrix level: Covalent bonding, and coulomb and fermi correlations in closed shell systems.
International Journal of Quantum Chemistry 2013,
113(13),
1775-1786.
1339.
Sudip Pan; Said Jalife; Jonathan Romero; Andrés Reyes; Gabriel Merino; Pratim Kumar Chattaraj, Attractive Xe–Li interaction in Li-decorated clusters.
Computational and Theoretical Chemistry 2013.
62-69.
1340.
Lingling Ma; Zhengguo Huang; Xiqian Niu; Tingting Shen; Lingfei Guo, A theoretical study on the hydrogen bonding interactions in HXeCCH⋯Y (Y=H2O and HF) complexes.
Computational and Theoretical Chemistry 2013.
14-21.