eprintid: 17998
rev_number: 17
userid: 1419
dir: disk0/00/01/79/98
datestamp: 2013-04-08 17:33:04
lastmod: 2019-02-02 15:56:09
status_changed: 2013-04-08 17:33:04
type: article
metadata_visibility: show
item_issues_count: 0
eprint_status: archive
creators_name: Florio, GM
creators_name: Zwier, TS
creators_name: Myshakin, EM
creators_name: Jordan, KD
creators_name: Sibert, EL
creators_email: 
creators_email: 
creators_email: 
creators_email: jordan@pitt.edu
creators_email: 
creators_id: 
creators_id: 
creators_id: 
creators_id: JORDAN
creators_id: 
title: Theoretical modeling of the OH stretch infrared spectrum of carboxylic acid dimers based on first-principles anharmonic couplings
ispublished: pub
divisions: sch_as_chemistry
full_text_status: public
abstract: A simple physical picture of the dominant cause for the unusual breadth and sub-structure of the O-H stretch infrared spectrum of carboxylic acid dimers was established. Cubic anharmonic constants were calculated for FAD and BAD using a set of five key internal coordinates.
date: 2003-01-22
date_type: published
publication: Journal of Chemical Physics
volume: 118
number: 4
pagerange: 1735 - 1746
refereed: TRUE
issn: 0021-9606
id_number: 10.1063/1.1530573
citation:   Florio, GM and Zwier, TS and Myshakin, EM and Jordan, KD and Sibert, EL  (2003) Theoretical modeling of the OH stretch infrared spectrum of carboxylic acid dimers based on first-principles anharmonic couplings.  Journal of Chemical Physics, 118 (4).  1735 - 1746.  ISSN 0021-9606     
document_url: http://d-scholarship-dev.library.pitt.edu/17998/1/licence.txt