1201.
Qi Wang; Bohai Zhang; Zhengguo Huang, Theoretical study on H 2 Y⋯Ag X (X = F, Cl, Br, I; Y = O, S) complexes: Structures, energies and bonding.
Chemical Physics Letters 2014.
5-9.
1202.
Mehdi D. Esrafili; Mahshad Vakili; Mohammad Solimannejad, Cooperative effects in pnicogen bonding: (PH2F)2–7 and (PH2Cl)2–7 clusters.
Chemical Physics Letters 2014.
37-41.
1203.
Wenkai Tian; Qingzhong Li, Competition between halogen bond and hydrogen bond in complexes of superalkali Li3S and halogenated acetylene XCCH (X = F, Cl, Br, and I).
International Journal of Quantum Chemistry 2014,
115(2),
99-105.
1204.
Mehdi D. Esrafili; Fariba Mohammadian‐Sabet, Halogen-Bond Interactions Enhanced by Charge-Assisted Hydrogen Bonds: An Ab Initio Study.
Bulletin of the Chemical Society of Japan 2014,
87(8),
882-889.
1205.
Hongying Zhuo; Lixia Jiang; Qingzhong Li; Wenzuo Li; Jianbo Cheng, Is there an attractive interaction between two methyl groups?.
Chemical Physics Letters 2014.
90-94.
1206.
Xun Chen; Zhenhua Chen; Wei Wu, Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. IV. The automatic implementation of the Hessian based VBSCF method.
The Journal of Chemical Physics 2014,
141(19).
1207.
Renato P. Orenha; Ricardo Vessecchi; Sérgio E. Galembeck, The resonance of cation and anion radicals with multiple conjugated bonds.
Structural Chemistry 2014,
26(2),
365-373.
1208.
J. Grant Hill; Aloke Das, Interaction in the indole⋯imidazole heterodimer: structure, Franck–Condon analysis and energy decomposition.
Physical Chemistry Chemical Physics 2014,
16(23),
11754-11754.
1209.
B. Vijaya Pandiyan; P. Deepa; P. Kolandaivel, On the nature of non-covalent interactions in isomers of 2,5-dichloro-1,4-benzoquinone dimers – ground- and excited-state properties.
Physical Chemistry Chemical Physics 2014,
16(37),
19928-19940.
1210.
Xifeng Liu; Wen Yuan; Chaokang Gu; Wenhao Huang; Weixin Hu, Nature of Sigma-Type Lithium Bonding Interaction in Nanoscale.
Nano LIFE 2014,
04(04),
1441020-1441020.
1211.
Dennis Awasabisah; George B. Richter‐Addo, NOx Linkage Isomerization in Metal Complexes.
Advances in inorganic chemistry 2014.
1-86.
1212.
Sudip Pan; Diego Moreno; José Luis Cabellos; Gabriel Merino*; Pratim Kumar Chattaraj*, Ab Initio Study on the Stability of NgnBe2N2, NgnBe3N2and NgBeSiN2Clusters.
ChemPhysChem 2014,
15(12),
2618-2625.
1213.
Yirong Mo*, The Block‐Localized Wavefunction (BLW) Perspective of Chemical Bonding.
2014.
199-232.
1214.
Sason Shaik; David Danovich; Wei Wu; Philippe C. Hiberty, The Valence Bond Perspective of the Chemical Bond.
2014.
159-198.
1215.
Hongying Zhuo; Qingzhong Li; Wenzuo Li; Jianbo Cheng, Non-additivity between substitution and cooperative effects in enhancing hydrogen bonds.
The Journal of Chemical Physics 2014,
141(24).
1216.
Lingling Ma; Zhengguo Huang; Xiqian Niu; Bohai Zhang; Qi Wang, Theoretical study on the selectivity of the insertion xenon atom into hypohalous acids.
Inorganica Chimica Acta 2014.
210-216.
1217.
Xin Guo; Yanwen Liu; Qingzhong Li; Wenzuo Li; Jianbo Cheng, Competition and cooperativity between tetrel bond and chalcogen bond in complexes involving F2CX (X = Se and Te).
Chemical Physics Letters 2014.
7-12.
1218.
Alba Campo‐Cacharrón; Enrique M. Cabaleiro‐Lago; Jorge A. Carrazana‐García; Jesús Rodríguez‐Otero, Interaction of aromatic units of amino acids with guanidinium cation: The interplay of π···π, XH···π, and M+···π contacts.
Journal of Computational Chemistry 2014,
35(17),
1290-1301.
1219.
Munmun Khatua; Sudip Pan; Pratim Kumar Chattaraj, Confinement of (HF)2 in C (n= 60, 70, 80, 90) cages.
Chemical Physics Letters 2014.
49-54.
1220.
Mehdi D. Esrafili; Mahshad Vakili, Halogen bonds enhanced by σ-hole and π-hole interactions: a comparative study on cooperativity and competition effects between X∙∙∙N and S∙∙∙N interactions in H3N∙∙∙XCN∙∙∙SF2 and H3N∙∙∙XCN∙∙∙SO2 complexes (X = F, Cl, Br and I).
Journal of Molecular Modeling 2014,
20(6).