Interpretation of the photoelectron, ultraviolet, and vacuum ultraviolet photoabsorption spectra of bromobenzene by ab initio configuration interaction and DFT computations
出版年份 2015 全文链接
标题
Interpretation of the photoelectron, ultraviolet, and vacuum ultraviolet photoabsorption spectra of bromobenzene by ab initio configuration interaction and DFT computations
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 143, Issue 16, Pages 164303
出版商
AIP Publishing
发表日期
2015-10-25
DOI
10.1063/1.4933419
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- The ionic states of iodobenzene studied by photoionization and ab initio configuration interaction and DFT computations
- (2015) Michael H. Palmer et al. JOURNAL OF CHEMICAL PHYSICS
- Interpretation of the vacuum ultraviolet photoabsorption spectrum of iodobenzene by ab initio computations
- (2015) Michael H. Palmer et al. JOURNAL OF CHEMICAL PHYSICS
- The electronic states of pyridine-N-oxide studied by VUV photoabsorption andab initioconfiguration interaction computations
- (2013) Michael H. Palmer et al. JOURNAL OF CHEMICAL PHYSICS
- Anharmonic theoretical simulations of infrared spectra of halogenated organic compounds
- (2013) Ivan Carnimeo et al. JOURNAL OF CHEMICAL PHYSICS
- General Time Dependent Approach to Vibronic Spectroscopy Including Franck–Condon, Herzberg–Teller, and Duschinsky Effects
- (2013) Alberto Baiardi et al. Journal of Chemical Theory and Computation
- Fully anharmonic IR and Raman spectra of medium-size molecular systems: accuracy and interpretation
- (2013) Vincenzo Barone et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- The electronic states of 1,2,4-triazoles: A study of 1H- and 1-methyl-1,2,4-triazole by vacuum ultraviolet photoabsorption and ultraviolet photoelectron spectroscopy and a comparison with ab initio configuration interaction computations
- (2012) Michael H. Palmer et al. JOURNAL OF CHEMICAL PHYSICS
- Dynamics of Br(2Pj) Formation in the Photodissociation of Bromobenzene
- (2011) Dababrata Paul et al. BULLETIN OF THE KOREAN CHEMICAL SOCIETY
- The electronic states of 1,2,3-triazole studied by vacuum ultraviolet photoabsorption and ultraviolet photoelectron spectroscopy, and a comparison with ab initio configuration interaction methods
- (2011) Michael H. Palmer et al. JOURNAL OF CHEMICAL PHYSICS
- Consistent assignment of the vibrations of monosubstituted benzenes
- (2011) Adrian M. Gardner et al. JOURNAL OF CHEMICAL PHYSICS
- nσ* and πσ* excited states in aryl halide photochemistry: a comprehensive study of the UV photodissociation dynamics of iodobenzene
- (2011) Alan G. Sage et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- General Approach to Compute Vibrationally Resolved One-Photon Electronic Spectra
- (2010) Julien Bloino et al. Journal of Chemical Theory and Computation
- An ab initio investigation of the mechanisms of photodissociation in bromobenzene and iodobenzene
- (2009) JOURNAL OF CHEMICAL PHYSICS
- Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems
- (2009) Vincenzo Barone et al. Journal of Chemical Theory and Computation
- Halogen Effect on the Photodissociation Mechanism for Gas-Phase Bromobenzene and Iodobenzene
- (2008) Xiao-Peng Zhang et al. CHEMPHYSCHEM
- An excited state ab initio and multidimensional Franck–Condon analysis of the A B12←X A11 band system of fluorobenzene
- (2008) Igor Pugliesi et al. JOURNAL OF CHEMICAL PHYSICS
- Integrated computational approach to vibrationally resolved electronic spectra: Anisole as a test case
- (2008) Julien Bloino et al. JOURNAL OF CHEMICAL PHYSICS
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now