Chapter 9 An Active Database Approach to Complete Rotational-Vibrational Spectra of Small Molecules

Research output: Contribution to journalArticle

28 Citations (Scopus)
Original languageEnglish
Pages (from-to)155-176
Number of pages22
JournalAnnual Reports in Computational Chemistry
Volume3
DOIs
Publication statusPublished - 2007

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Vibrational spectra
Carbon Dioxide
Molecules
Water

Keywords

  • ab initio
  • active database
  • carbon dioxide
  • computational molecular spectroscopy
  • DMS
  • internal coordinate Hamiltonians
  • MARVEL
  • PES
  • water
  • Watsonian

ASJC Scopus subject areas

  • Chemistry(all)
  • Computational Mathematics

Cite this

@article{833ed17d7941478182faa3c1b891d45e,
title = "Chapter 9 An Active Database Approach to Complete Rotational-Vibrational Spectra of Small Molecules",
keywords = "ab initio, active database, carbon dioxide, computational molecular spectroscopy, DMS, internal coordinate Hamiltonians, MARVEL, PES, water, Watsonian",
author = "A. Cs{\'a}sz{\'a}r and G. Czak{\'o} and T. Furtenbacher and E. Mat́yus",
year = "2007",
doi = "10.1016/S1574-1400(07)03009-5",
language = "English",
volume = "3",
pages = "155--176",
journal = "Annual Reports in Computational Chemistry",
issn = "1574-1400",
publisher = "Elsevier BV",

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AU - Császár, A.

AU - Czakó, G.

AU - Furtenbacher, T.

AU - Mat́yus, E.

PY - 2007

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KW - active database

KW - carbon dioxide

KW - computational molecular spectroscopy

KW - DMS

KW - internal coordinate Hamiltonians

KW - MARVEL

KW - PES

KW - water

KW - Watsonian

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DO - 10.1016/S1574-1400(07)03009-5

M3 - Article

AN - SCOPUS:34548664125

VL - 3

SP - 155

EP - 176

JO - Annual Reports in Computational Chemistry

JF - Annual Reports in Computational Chemistry

SN - 1574-1400

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