DOI: 10.1021/jp049972+. Efficient Molecular Mechanics for Chemical Reactions: Multiconfiguration Molecular Mechanics Using Partial Electronic Structure Hessians

Efficient Molecular Mechanics for Chemical Reactions: Multiconfiguration Molecular Mechanics Using Partial Electronic Structure Hessians

10.1021/jp049972+

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry A (316)

Bibliography

Lin, H., Pu, J., Albu, T. V., & Truhlar, D. G. (2004). Efficient Molecular Mechanics for Chemical Reactions:â Multiconfiguration Molecular Mechanics Using Partial Electronic Structure Hessians. The Journal of Physical Chemistry A, 108(18), 4112â4124.

Authors 4

Hai Lin (first)
Jingzhi Pu (additional)
Titus V. Albu (additional)
Donald G. Truhlar (additional)

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Dates

Type	When
Created	21 years, 3 months ago (April 29, 2004, 12:53 a.m.)
Deposited	3 years, 6 months ago (Feb. 2, 2022, 2:08 p.m.)
Indexed	1 year, 11 months ago (Sept. 13, 2023, 12:33 p.m.)
Issued	21 years, 4 months ago (April 7, 2004)
Published	21 years, 4 months ago (April 7, 2004)
Published Online	21 years, 4 months ago (April 7, 2004)
Published Print	21 years, 3 months ago (May 1, 2004)

Funders 0

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BibTeX

@article{Lin_2004, title={Efficient Molecular Mechanics for Chemical Reactions: Multiconfiguration Molecular Mechanics Using Partial Electronic Structure Hessians}, volume={108}, ISSN={1520-5215}, url={http://dx.doi.org/10.1021/jp049972}, DOI={10.1021/jp049972+}, number={18}, journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society (ACS)}, author={Lin, Hai and Pu, Jingzhi and Albu, Titus V. and Truhlar, Donald G.}, year={2004}, month=apr, pages={4112–4124} }

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