The singlet electronic states of pyrrole: a theoretical study by bothab initiomulti-reference configuration interaction methods and time-dependent density functional theory and a reconsideration of the experimental VUV spectral data-Reference-Cited by-同舟云学术

The singlet electronic states of pyrrole: a theoretical study by bothab initiomulti-reference configuration interaction methods and time-dependent density functional theory and a reconsideration of the experimental VUV spectral data

Published:2003-08-10 Issue:15 Volume:101 Page:2391-2408
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

PALMER MICHAEL H.,WILSON PHILIP J.

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

http://www.tandfonline.com/doi/pdf/10.1080/0026897031000108050

Reference48 articles.

1. The electronic states of pyrrole studied by optical (VUV) absorption, near-threshold electron energy-loss (EEL) spectroscopy and ab initio multi-reference configuration interaction calculations

2. Theoretical study of the electronic spectra of cyclopentadiene, pyrrole, and furan

3. Theoretical characterization of the lowest-energy absorption band of pyrrole

4. Theoretical study of the excitation spectra of five‐membered ring compounds: Cyclopentadiene, furan, and pyrrole

5. Polarization propagator study of electronic excitation in key heterocyclic molecules I. Pyrrole

Cited by 38 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. Low-Energy Electron Scattering from Pyrrole and Its Isomers;The Journal of Physical Chemistry A;2023-12-01

2. Ultrafast decay dynamics of electronically excited 2-ethylpyrrole;Physical Chemistry Chemical Physics;2021

3. A Mountaineering Strategy to Excited States: Highly Accurate Energies and Benchmarks for Medium Sized Molecules;Journal of Chemical Theory and Computation;2020-01-27

4. Entanglement of the molecular photodissociation products at avoided crossings and conical intersections;Chemical Physics;2018-11

5. Time-dependent density functional theory description of total photoabsorption cross sections;The Journal of Chemical Physics;2018-02-21