DOI: 10.1039/f29878301577. Accurate ab initio prediction of molecular geometries and spectroscopic constants, using SCF and MP2 energy derivatives

Accurate ab initio prediction of molecular geometries and spectroscopic constants, using SCF and MP2 energy derivatives

10.1039/f29878301577

Crossref journal-article

Royal Society of Chemistry (RSC)

Journal of the Chemical Society, Faraday Transactions 2 (292)

Bibliography

Handy, N. C., Gaw, J. F., & Simandiras, E. D. (1987). Accurate ab initio prediction of molecular geometries and spectroscopic constants, using SCF and MP2 energy derivatives. Journal of the Chemical Society, Faraday Transactions 2, 83(9), 1577.

Authors 3

Nicholas C. Handy (first)
Jeffrey F. Gaw (additional)
Emmanuel D. Simandiras (additional)

References 0 Referenced 67

None

Dates

Type	When
Created	21 years, 4 months ago (April 15, 2004, 5:26 a.m.)
Deposited	1 year, 4 months ago (April 17, 2024, 10:12 a.m.)
Indexed	1 month, 3 weeks ago (July 2, 2025, 12:53 p.m.)
Issued	38 years, 7 months ago (Jan. 1, 1987)
Published	38 years, 7 months ago (Jan. 1, 1987)
Published Print	38 years, 7 months ago (Jan. 1, 1987)

Funders 0

None

BibTeX

@article{Handy_1987, title={Accurate ab initio prediction of molecular geometries and spectroscopic constants, using SCF and MP2 energy derivatives}, volume={83}, ISSN={0300-9238}, url={http://dx.doi.org/10.1039/f29878301577}, DOI={10.1039/f29878301577}, number={9}, journal={Journal of the Chemical Society, Faraday Transactions 2}, publisher={Royal Society of Chemistry (RSC)}, author={Handy, Nicholas C. and Gaw, Jeffrey F. and Simandiras, Emmanuel D.}, year={1987}, pages={1577} }

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