1
Material Type:
Artigo
Generator coordinate hartree-fock method for molecular systems . Formalism and first applications to 'H IND.2', 'LI'h and 'LI IND.2'
H F M Costa Alberico Borges Ferreira da Silva; J R Mohallem; A M Simas; M Trsic
Amsterdam v.154, n.3 , p.379-84, jul. 1991 Chemical Physics
Amsterdam 1991
Localização:
IQSC - Inst. Química de São Carlos
(P1692 ) (Acessar)
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2
Material Type:
Artigo
Generator coordinate hartree-fock method for molecular systems . Formalism and first applications to 'H IND.2', 'LI'h and 'LI IND.2'
H F M Costa Alberico Borges Ferreira da Silva; J R Mohallem; A M Simas; M Trsic
Amsterdam v.154, n.3 , p.379-84, jul. 1991 Chemical Physics
Amsterdam 1991
Localização:
IQSC - Inst. Química de São Carlos
(P1692 ) (Acessar)
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3
Material Type:
Artigo
Diffusion Monte Carlo investigation of electronic structure properties for 13-atom alkali metal clusters
Wagner F.D. Angelotti Roberto Luiz Andrade Haiduke; Alberico Borges Ferreira da Silva
Chemical Physics Amsterdam: Elsevier BV v.565, p.111767, 2023
Amsterdam 2023
Localização:
IQSC - Inst. Química de São Carlos
(P20150 ) (Acessar)
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4
Material Type:
Artigo
On the helium ground-state hartree-fock energy
R Celeste H F M Costa; Alberico Borges Ferreira da Silva; M Trsic
Lausanne v.183, n.1-2, p.31-3, aug. 1991 Chemical Physics Letters
Lausanne 1991
Localização:
IQSC - Inst. Química de São Carlos
(P1701 ) (Acessar)
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5
Material Type:
Artigo
Generator coordinate hartree-fock method for molecular systems. Near hartree-fock limit calculations for 'N IND.2', co and bf
H F M Costa A M Simas; V H Smith Junior; M Trsic
Lausanne v.192, n.2-3, p.195-8, mai. 1992 Chemical Physics Letters
Lausanne 1992
Localização:
IQSC - Inst. Química de São Carlos
(P1858 ) (Acessar)
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6
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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7
Material Type:
Artigo
An atom in molecules study of infrared intensity enhancements in fundamental donor stretching bands in hydrogen bond formation
Luiz Alberto Terrabuio Wagner E Richter; Arnaldo Ferreira da Silva; Roy Edward Bruns; Roberto Luiz Andrade Haiduke
Physical Chemistry Chemical Physics Cambridge v. 16, n. 45, p. 24920-24928, 2014
Cambridge 2014
Localização:
IQSC - Inst. Química de São Carlos
(P15338 ) (Acessar)
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8
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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9
Material Type:
Artigo
The nuclear electric quadrupole moment of copper
Regis Tadeu Santiago Tiago Quevedo Teodro; Roberto Luiz Andrade Haiduke
Physical Chemistry Chemical Physics Cambridge v. 16, p. 11590-11596, 2014
Cambridge 2014
Localização:
IQSC - Inst. Química de São Carlos
(P15022 ) (Acessar)
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10
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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