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Publication details

Document type
Journal articles

Document subtype
Full paper

Title
All-Atom Force Field for Molecular Dynamics Simulations on Organotransition Metal Solids and Liquids. Application to M(CO)n (M = Cr, Fe, Ni, Mo, Ru, or W) Compounds

Participants in the publication
Carlos E. S. Bernardes (Author)
Dep. Química e Bioquímica
 Dep. Química e Bioquímica
 CQB
 CQE
 José. N. Canongia Lopes (Author)
Manuel E. Minas da Piedade (Author)
Dep. Química e Bioquímica
 CQE
Date of Publication
2013-10-21

Where published
The Journal of Physical Chemistry A

Publication Identifiers
ISSN - 1089-5639

Publisher
American Chemical Society (ACS)

Volume
117
Number
43

Number of pages
6
Starting page
11107
Last page
11113

Document Identifiers
DOI - https://doi.org/10.1021/jp407739h
URL - http://dx.doi.org/10.1021/jp407739h


Export

APA
Carlos E. S. Bernardes, José. N. Canongia Lopes, Manuel E. Minas da Piedade, (2013). All-Atom Force Field for Molecular Dynamics Simulations on Organotransition Metal Solids and Liquids. Application to M(CO)n (M = Cr, Fe, Ni, Mo, Ru, or W) Compounds. The Journal of Physical Chemistry A, 117, 11107-11113. ISSN 1089-5639. eISSN . http://dx.doi.org/10.1021/jp407739h

IEEE
Carlos E. S. Bernardes, José. N. Canongia Lopes, Manuel E. Minas da Piedade, "All-Atom Force Field for Molecular Dynamics Simulations on Organotransition Metal Solids and Liquids. Application to M(CO)n (M = Cr, Fe, Ni, Mo, Ru, or W) Compounds" in The Journal of Physical Chemistry A, vol. 117, pp. 11107-11113, 2013. 10.1021/jp407739h

BIBTEX
@article{49329, author = {Carlos E. S. Bernardes and José. N. Canongia Lopes and Manuel E. Minas da Piedade}, title = {All-Atom Force Field for Molecular Dynamics Simulations on Organotransition Metal Solids and Liquids. Application to M(CO)n (M = Cr, Fe, Ni, Mo, Ru, or W) Compounds}, journal = {The Journal of Physical Chemistry A}, year = 2013, pages = {11107-11113}, volume = 117 }