The hydrogen bond in the acetylene-2 (HF) complex: A theoretical study about intramolecular and unusual π⋯ H interactions using DFT and AIM calculations
BG Oliveira, R Araújo, AB Carvalho, EF Lima… - Journal of Molecular …, 2006 - Elsevier
We present a theoretical study about hydrogen complexes formed by acetylene and
hydrofluoric acid using B3LYP/6-311++ G (d, p) calculations and topological parameters of …
hydrofluoric acid using B3LYP/6-311++ G (d, p) calculations and topological parameters of …
A theoretical prediction of stability in hydrogen-bonded complexes formed between oxirane and oxetane rings with HX (X= F and Cl)
The optimised geometries of heterocyclic hydrogen-bonded complexes, C2H4O··· HX and
C3H6O··· HX, where X= F or Cl, were determined at DFT/B3LYP/6-311++ G (d, p) …
C3H6O··· HX, where X= F or Cl, were determined at DFT/B3LYP/6-311++ G (d, p) …
Probing anisotropic interaction potentials of unsaturated hydrocarbons with He*(2S3) metastable atom: Attractive-site preference of σ-direction in C2H2 and π …
T Horio, T Hatamoto, S Maeda, N Kishimoto… - The Journal of chemical …, 2006 - pubs.aip.org
State-resolved collision energy dependence of Penning ionization cross sections of
acetylene (C 2 H 2) and ethylene (C 2 H 4) with He*(2 S 3) metastable atoms was observed …
acetylene (C 2 H 2) and ethylene (C 2 H 4) with He*(2 S 3) metastable atoms was observed …
Characterization of solvated electrons in hydrogen cyanide clusters:(HCN) n−(n= 3, 4)
D Wu, Y Li, Z Li, W Chen, ZR Li, CC Sun - The Journal of chemical …, 2006 - pubs.aip.org
Theoretical studies of the solvated electrons (HCN) n−( n= 3, 4) reveal a variety of
electron trapping possibilities in the (HCN) n ( n= 3, 4) clusters. Two isomers for (HCN) …
electron trapping possibilities in the (HCN) n ( n= 3, 4) clusters. Two isomers for (HCN) …
[引用][C] Hydrogen bonding
WO George, R Lewis - Handbook of vibrational spectroscopy, 2006 - Wiley Online Library
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