Insight into the Effects of Electrostatic Potentials on the Conversion Mechanism of the Hydrogen-Bonded Complexes and Carbon-Bonded Complexes: An Ab Initio and Quantum Theory of “Atoms in Molecules” Investigation
Main Authors: | Runtian Chu, Yanli Zeng, Mengyu Liu, Shijun Zheng, Lingpeng Meng |
---|---|
Format: | Article |
Language: | English |
Published: |
American Chemical Society
2019-01-01
|
Series: | ACS Omega |
Online Access: | http://dx.doi.org/10.1021/acsomega.8b02669 |
Similar Items
-
An Ab Initio MP2 Study of HCN-HX Hydrogen Bonded Complexes
by: Araújo Regiane C.M.U., et al.
Published: (1998-01-01) -
Nuclear quantum effects from ab initio simulations : hydrogen-bonds and tunnelling rates
by: Fang, Wei
Published: (2017) -
The ab initio and DFT study of hydrogen bonds and molecular spectra
by: Shen, Min-yi, et al.
Published: (1996) -
An ab initio Study of the Structure and Energetics of Hydrogen Bonding in Ionic Liquids
by: Kaycee Low, et al.
Published: (2019-04-01) -
Microwave Spectroscopic and Atoms in Molecules Theoretical Investigations on Weakly Bound Complexes : From Hydrogen Bond to 'Carbon Bond'
by: Devendra Mani, *
Published: (2018)