Sérgio Rodrigues

Dr. Sérgio Rodrigues

Coimbra Chemistry Centre, Department of Chemistry, University of Coimbra, 3004-535 Coimbra, Portugal

Research Focus & Metrics

Academic Career Length

33Years (1994-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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17 February 2005 in The Journal of Physical Chemistry A
Verified
Journal Article
Closed access
Pedro CaridadePedro Caridade
Pedro Caridade
Sérgio RodriguesSérgio Rodrigues
Sérgio Rodrigues
FSF. Sousa
F. Sousa
AVAntónio J. C. Varandas
António J. C. Varandas

15 June 1997 in The Journal of Chemical Physics
Verified
Journal Article
Closed access
PDF file
AVA. J. C. Varandas
A. J. C. Varandas
Sérgio RodriguesSérgio Rodrigues
Sérgio Rodrigues
A single-valued double many-body expansion potential energy surface is reported for ground-state HCN based on a realistic representation of the long-range forces, and a fit to accurate ab initio calculations for the HCN↔CNH regions [J. M. Bowman, B. Gazdy, J. A. Bentley, T. J. Lee, and C. E. Dateo, J. Chem. Phys. 99, 308 (1993)] and novel full valence complete active space energies for CHN geometries. The various topographical features of the novel global potential energy surface are examined, and vibrational calculations are presented to characterize the minima associated to the HCN and CNH isomers. The quality of the new fit is compared with that of the seminumerical representation of Bowman et al. in terms of root-mean-squared deviations for stratified energy regimes.


1 March 2002 in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Verified
Journal Article
Closed access
AVAntónio J. C. Varandas
António J. C. Varandas
Sérgio RodriguesSérgio Rodrigues
Sérgio Rodrigues

1 October 2016 in Journal of Molecular Liquids
Verified
Journal Article
Closed access
JBJoão G.C. Baptista
João G.C. Baptista
Sérgio RodriguesSérgio Rodrigues
Sérgio Rodrigues
AMAlan F.Y. Matsushita
Alan F.Y. Matsushita
Carla VitorinoCarla Vitorino
Carla Vitorino
TMTeresa M.R. Maria
Teresa M.R. Maria
Artur ValenteArtur Valente
Artur Valente

20 December 2001 in The Journal of Physical Chemistry A
Verified
Journal Article
Closed access
Sérgio RodriguesSérgio Rodrigues
Sérgio Rodrigues
JSJ. A. Sabín
J. A. Sabín
AVAntónio J. C. Varandas
António J. C. Varandas