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Publication details

Document type
Journal articles

Document subtype
Full paper

Title
A force field for MD simulations on rhenium organometallic compounds developed from enthalpy of sublimation and X-ray diffraction measurements

Participants in the publication
Carlos E.S. Bernardes (Author)
Dep. Química e Bioquímica
 Dep. Química e Bioquímica
 CQE
 Mariana T. Donato (Author)
M. Fátima M. Piedade (Author)
Dep. Química e Bioquímica
 Hermínio P. Diogo (Author)
José N. Canongia Lopes (Author)
Manuel E. Minas da Piedade (Author)
FACULDADE DE CIÊNCIAS DA UNIVERSIDADE DE LISBOA
 Dep. Química e Bioquímica
 CQE
Date of Publication
2019-06

Where published
The Journal of Chemical Thermodynamics

Publication Identifiers
ISSN - 0021-9614

Publisher
Elsevier BV

Volume
133

Number of pages
9
Starting page
60
Last page
69

Document Identifiers
URL - http://dx.doi.org/10.1016/j.jct.2019.01.016
DOI - https://doi.org/10.1016/j.jct.2019.01.016

Rankings
Web Of Science Q1 (2019) - 2.888 - Thermodynamics


Export

APA
Carlos E.S. Bernardes, Mariana T. Donato, M. Fátima M. Piedade, Hermínio P. Diogo, José N. Canongia Lopes, Manuel E. Minas da Piedade, (2019). A force field for MD simulations on rhenium organometallic compounds developed from enthalpy of sublimation and X-ray diffraction measurements. The Journal of Chemical Thermodynamics, 133, 60-69. ISSN 0021-9614. eISSN . http://dx.doi.org/10.1016/j.jct.2019.01.016

IEEE
Carlos E.S. Bernardes, Mariana T. Donato, M. Fátima M. Piedade, Hermínio P. Diogo, José N. Canongia Lopes, Manuel E. Minas da Piedade, "A force field for MD simulations on rhenium organometallic compounds developed from enthalpy of sublimation and X-ray diffraction measurements" in The Journal of Chemical Thermodynamics, vol. 133, pp. 60-69, 2019. 10.1016/j.jct.2019.01.016

BIBTEX
@article{40916, author = {Carlos E.S. Bernardes and Mariana T. Donato and M. Fátima M. Piedade and Hermínio P. Diogo and José N. Canongia Lopes and Manuel E. Minas da Piedade}, title = {A force field for MD simulations on rhenium organometallic compounds developed from enthalpy of sublimation and X-ray diffraction measurements}, journal = {The Journal of Chemical Thermodynamics}, year = 2019, pages = {60-69}, volume = 133 }