NAGIOS: RODERIC FUNCIONANDO

Browsing by Author "Roos, Björn O."

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Accurate ab initio density fitting for multiconfigurational self-consistent field methods

Aquilante, Francesco; Pedersen, Thomas Bondo; Lindh, Roland; Roos, Björn O.; Sánchez de Merás, Alfredo; Koch, Henrik (2008)
The chemical bonds in CuH, Cu2, NiH, and Ni2 studied with multiconfigurational second order perturbation theory

Pou Amérigo, Rosendo; Merchán Bonete, Manuela; Nebot Gil, Ignacio José; Malmqvist, Per-Ake; Roos, Björn O. (1994)
A combined theoretical and experimental determination of the electronic spectrum of acetone

Merchán Bonete, Manuela; Roos, Björn O.; Mc Diarmid, Ruth; Xing, Xing (1996)
Theoretical characterization of the lowest-energy absorption band of pyrrole

Roos, Björn O.; Malmqvist, Per-Ake; Molina, Vincent; Serrano Andrés, Luis; Merchán Bonete, Manuela (2002)
A theoretical study of the electronic spectrum of bithiophene

Rubio Mas, María Mercedes; Merchán Bonete, Manuela; Ortí Guillén, Enrique; Roos, Björn O. (1995)
Theoretical study of the electronic spectrum of magnesium-porphyrin

Rubio, Mercedes; Roos, Björn O.; Serrano Andrés, Luis; Merchán Bonete, Manuela (1999)
Towards an accurate molecular orbital theory for excited states : Ethene, butadiene, and hexatriene

Serrano Andrés, Luis; Merchán Bonete, Manuela; Nebot Gil, Ignacio José; Lindh, Roland; Roos, Björn O. (1993)

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