1
Material Type:
Artigo
Highly accurate relativistic universal gaussian basis set dirac-fock-coulomb calculations for atomic systems up to nobelium
G L Malli Alberico Borges Ferreira da Silva; Y Ishikawa
New York v.101, n.8 , p.6829-33, oct. 1994 Journal of Chemical Physics
New York 1994
Localização:
IQSC - Inst. Química de São Carlos
(P2605 ) (Acessar)
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2
Material Type:
Artigo
Quantum theory of atoms in molecules charge-charge flux-dipole flux models for fundamental vibrational intensity changes on H-bond formation of water and hydrogen fluoride
Arnaldo F. Silva Wagner E Richter; Luiz Alberto Terrabuio; Roberto Luiz Andrade Haiduke; Roy Edward Bruns
Journal of Chemical Physics New York v. 140, p. 084306-10, 2014
New York 2014
Localização:
IQSC - Inst. Química de São Carlos
(P14943 ) (Acessar)
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3
Material Type:
Artigo
Coupled slow and fast surface dynam,ics in an electrocatalytic oscillator model and simultations
Melke Augusto do Nascimento Raphael Nagao; Markus Eiswirth; Hamilton Varela
Journal of Chemical Physics New York v. 141, v. 23, p. 234701-9, 2014
New York 2014
Localização:
IQSC - Inst. Química de São Carlos
(P15473 ) (Acessar)
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4
Material Type:
Artigo
Highly accurate relativistic universal gaussian basis set dirac-fock-coulomb calculations for atomic systems up to nobelium
G L Malli Alberico Borges Ferreira da Silva; Y Ishikawa
New York v.101, n.8 , p.6829-33, oct. 1994 Journal of Chemical Physics
New York 1994
Localização:
IQSC - Inst. Química de São Carlos
(P2605 ) (Acessar)
This feature requires javascript
5
Material Type:
Artigo
Theoretical investigation of the low-lying electronic states of the molecule 'BE''H POT.+'
F B C Machado Fernando Rei Ornellas
New York v.94, n.11, p.7237-44, 1991 Journal of Chemical Physics
New York 1991
Item não circula. Consulte sua biblioteca.(Acessar)
6
Material Type:
Artigo
On the low-lying electronic states of the molecule ben
Fernando Rei Ornellas O Roberto Neto; Antonio Carlos Borin; F B C Machado
New York v.95, n.12, p.9086-93, 1991 Journal of Chemical Physics
New York 1991
Item não circula. Consulte sua biblioteca.(Acessar)
7
Material Type:
Artigo
Theoretical study of the electronic structure and spectroscopic properties of a new diatomic molecule , b e c
Antonio Carlos Borin Fernando Rei Ornellas
New York v.98, n.11, p.8761-9, 1993 Journal of Chemical Physics
New York 1993
Item não circula. Consulte sua biblioteca.(Acessar)
8
Material Type:
Artigo
On the low-lying electronic states of the molecule ben
Fernando Rei Ornellas O Roberto Neto; Antonio Carlos Borin; F B C Machado
New York v.95, n.12, p.9086-93, 1991 Journal of Chemical Physics
New York 1991
Item não circula. Consulte sua biblioteca.(Acessar)
9
Material Type:
Artigo
Theoretical investigation of the low-lying electronic states of the molecule 'BE''H POT.+'
F B C Machado Fernando Rei Ornellas
New York v.94, n.11, p.7237-44, 1991 Journal of Chemical Physics
New York 1991
Item não circula. Consulte sua biblioteca.(Acessar)
10
Material Type:
Artigo
Non-empirical exchange-correlation parameterizations based on exact conditions from correlated orbital theory
Roberto Luiz Andrade Haiduke Rodney J Bartlett
Journal of Chemical Physics v. 148, p. 184106(1-13), 2018
New York 2018
Localização:
IQSC - Inst. Química de São Carlos
(P17463 ) (Acessar)
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