Studies on the molecular structures, vibrational spectra and thermodynamic properties of organic nitrates using density functional theory and ab initio methods-Reference-Cited by-同舟云学术

Studies on the molecular structures, vibrational spectra and thermodynamic properties of organic nitrates using density functional theory and ab initio methods

Published:2001-09 Issue:1-3 Volume:572 Page:213-221
ISSN:0166-1280
Container-title:Journal of Molecular Structure: THEOCHEM
language:en
Short-container-title:Journal of Molecular Structure: THEOCHEM

Author:

Gong X.D.,Xiao H.M.

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference44 articles.

1. Microwave spectrum, structure and dipole moment of methyl nitrate

2. Molecular structure of ethyl nitrate from gas-phase electron diffraction and ab initio MO calculations

3. Pentaerythritol tetranitrate II: its crystal structure and transformation to PETN I; an algorithm for refinement of crystal structures with poor data

4. The Vibrational Spectrum of Methyl Nitrate1

Cited by 32 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. The microwave spectra of the conformers of n-butyl nitrate;Journal of Molecular Spectroscopy;2023-09

2. Detonation Characteristics of Gaseous Isopropyl Nitrate at High Concentrations;Central European Journal of Energetic Materials;2021-06-30

3. A study of the conformational isomerism of n-propyl nitrate by microwave spectroscopy;Journal of Molecular Spectroscopy;2020-11

4. Isopropyl Nitrate Structure and Vibrational Spectrum Analysis Using Quantum-Chemical Method;Key Engineering Materials;2020-07

5. Thermal Decomposition Mechanism of Nitroglycerin by ReaxFF Reactive Molecular Dynamics Simulations;Combustion Science and Technology;2019-09-04