Quantum Chemistry Calculated Intermolecular Interaction and Molecular Dynamics Simulation of Cyclopropane
碩士 === 國立臺灣大學 === 應用力學研究所 === 105 === The first topic of this research is quantum chemistry calculation to cyclopropane. We have calculated the intermolecular interaction energy of the cyclopropane dimer with Hatree-Fock self-consistent theory(HF), second-order M?ller-Plesset perturbation theory(MP2...
Main Authors: | Yen-Ching Ho, 何彥慶 |
---|---|
Other Authors: | 趙聖德 |
Format: | Others |
Language: | zh-TW |
Published: |
2016
|
Online Access: | http://ndltd.ncl.edu.tw/handle/30300280241269511032 |
Similar Items
-
Quantum Chemistry Calculated Intermolecular Interaction and Molecular Dynamics Simulation of Dichloromethane
by: Qi-Sheng Chen, et al.
Published: (2019) -
Molecular Dynamics Simulations of Methane Fluids using Quantum Chemistry Calculated Intermolecular Interactions
by: Pai, Ching-Cheng, et al.
Published: (2007) -
Quantum Chemistry Method to Calculate Intermolecular Interactions and Molecular Dynamics Simulations of Trifluoromethane
by: Yi-Hsing Chung, et al.
Published: (2010) -
Quantum Chemistry Calculated Intermolecular Interaction and Molecular Dynamics Simulation of Water and Methane
by: Yu-De Chen, et al.
Published: (2011) -
Based on Quantum Chemistry Method to Calculate Intermolecular Interactions and Molecular Dynamics Simulations of Methane Fluids
by: Kuang-Wei Tu, et al.
Published: (2010)