Quantum Mechanical Computations and Spectroscopy: From Small Rigid Molecules in the Gas Phase to Large Flexible Molecules in Solution-Reference-Cited by-同舟云学术

Quantum Mechanical Computations and Spectroscopy: From Small Rigid Molecules in the Gas Phase to Large Flexible Molecules in Solution

Published:2008-02-29 Issue:5 Volume:41 Page:605-616
ISSN:0001-4842
Container-title:Accounts of Chemical Research
language:en
Short-container-title:Acc. Chem. Res.

Author:

Barone Vincenzo¹,Improta Roberto¹,Rega Nadia¹

Affiliation:

1. LSDM and CR-INSTM VILLAGE, Chemistry Department Paolo Corradini, University Federico II, Complesso Universitario Monte S. Angelo, via Cintia, I-80126 Napoli, Italy

Publisher

American Chemical Society (ACS)

Subject

General Medicine,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ar7002144

Reference43 articles.

1. The study of molecular spectroscopy by ab initio methods

2. The beginnings of coupled-cluster theory

3. Coupled Cluster Theory with Emphasis on Selected New Developments

4. Double-hybrid density functional theory for excited electronic states of molecules

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