Rogerio Custodio
机构: Professor of Physical Chemistry, State University of Campinas
每年引用次数
引用次数
引用: 1,969
H-指数: 25
I10-指数 : 54
出版物: 187
Reliable Hellmann–Feynman forces for nuclei‐centered GTO basis of standard size
Reinaldo O. Vianna , Rog�rio Cust�dio , H�lio Chacham , Jos� Rachid Mohallem
International Journal of Quantum Chemistry 44 311 -318
10
1992
Fully Anharmonic Resonance Raman Spectra of Diatomic Systems Through Variation Quantum Monte Carlo Simulations
Gustavo J Costaa , Antonio C Borinb , Pedro AM Vazquezc , Rogério Custodioc
Algoritmos para o método monte carlo quântico
ROGéRIO CUSTODIO
APLICAÇÕES DE QUÍMICA TEÓRICA NO ESTUDO DE MATERIAIS 64 -64
1
2018
INFLUENCE OF D-ORBITALS ON THE GEOMETRY OF SOME IA-GROUP HYDRIDES
R CUSTODIO , Y HASE , Y TAKAHATA
ANAIS DA ACADEMIA BRASILEIRA DE CIENCIAS 54 ( 3) 485 -489
1982
Systematic Convergence of the Numerical Taylor Series to the Best Standard and Its Potential Implication for the Development of Composite Methods.
Rogério Custodio , Guilherme Luiz Chinini
Journal of Chemical Theory and Computation 17 ( 4) 2231 -2243
2021
Implementation of pseudopotential in the G3 theory for molecules containing first-, second-, and non-transition third-row atoms.
Douglas Henrique Pereira , Alex Freitas Ramos , Nelson Henrique Morgon , Rogério Custodio
Journal of Chemical Physics 135 ( 3) 034106 -034106
20
2011
Erratum: “Implementation of pseudopotential in the G3 theory for molecules containing first-, second-, and non-transition third-row atoms” [J. Chem. Phys. 135, 034106 (2011)]
Douglas Henrique Pereira , Alex Freitas Ramos , Nelson Henrique Morgon , Rogério Custodio
Journal of Chemical Physics 135 ( 21) 219901 -219901
12
2011
The Auger spectra and the calculation of double-ionization potentials for H2O and NH3 using the Diffusion Quantum Monte Carlo method
Lívia Streit , Rogério Custodio
Chemical Physics Letters 482 148 -152
4
2009
Double ionization energies of HCl, HBr, Cl2 and Br2 molecules: An MRCI study
Lívia Streit , Francisco B.C. Machado , Rogério Custodio
Chemical Physics Letters 506 ( 1) 22 -25
13
2011
Hartree–Fock and density functional theory analysis of propylene insertion in Al(CH3)3/TiCl3/TiO2 (red.) in the presence of a Lewis base
Antonio Pedro de Oliveira Filho , Ulf Schuchardt , Rogério Custodio
Journal of Molecular Catalysis A-chemical 146 ( 1) 191 -198
1
1999
G3(mp2)-cep Theory And Applications For Compounds Containing Atoms From Representative First, Second And Third Row Elements Of The Periodic Table.
Douglas Henrique Pereira , Carlos Murilo Romero Rocha , Nelson Henrique Morgon , Rogério Custodio
Journal of Molecular Modeling 21 ( 8) 204 -204
6
2015
A study of the rotational barriers for some organic compounds using the G3 and G3CEP theories
Douglas Henrique Pereira , Lucas Colucci Ducati , Roberto Rittner , Rogério Custodio
Journal of Molecular Modeling 20 ( 4) 2199
10
2014
An interpretation of the phenol nitration mechanism in the gas phase using G3(MP2)//B3-CEP theory
Carlos Murilo Romero Rocha , José Augusto Rosário Rodrigues , Paulo José Samenho Moran , Rogério Custodio
Journal of Molecular Modeling 20 ( 12) 2524 -2524
4
2014
Determination of Enthalpies of Formation of Fatty Acids and Esters by Density Functional Theory Calculations with an Empirical Correction
Marcos VD Silva , Rogerio Custodio , Miria Hespanhol Miranda Reis ,
Industrial & Engineering Chemistry Research 54 ( 39) 9545 -9549
1
2015
Electronic and structural properties of SnxTi1−xO2 solid solutions: a periodic DFT study
Fabrício R. Sensato , Rogério Custodio , Elson Longo , Armando Beltrán
Catalysis Today 85 ( 2) 145 -152
65
2003
Assessment of G3(MP2)//B3 theory including a pseudopotential for molecules containing first-, second-, and third-row representative elements
Carlos Murilo Romero Rocha , Douglas Henrique Pereira , Nelson Henrique Morgon , Rogério Custodio
Journal of Chemical Physics 139 ( 18) 184108 -184108
14
2013
Theoretical investigation of the conformational behaviour of 3-monosubstituted 2-methylpropenes
Ivânia T.A. Schuquel , Rogério Custodio , Paulo R. Oliveira , Roberto Rittner
Journal of Molecular Structure: THEOCHEM 637 ( 1-3) 43 -54
11
2003
A method for the determination of the Hartree-Fock limit: application to closed-shell atoms
Nelson Henrique Morgon , Rogério Custodio , JoséRachid Mohallem ,
Journal of Molecular Structure-theochem 394 95 -100
4
1997
Investigation of the Nile Red spectra by semi‐empirical calculations and spectrophotometric measurements
Lauro C. Dias , Rogério Custodio , Francisco B. T. Pessine
International Journal of Quantum Chemistry 106 ( 13) 2624 -2632
11
2006
Koopmans' approximation applied in atoms and diatomic molecules using the diffusion quantum Monte Carlo method
Wagner Fernando Delfino Angelotti , Lívia Streit , André Luiz Da Fonseca , Rogério Custodio
International Journal of Quantum Chemistry 108 ( 13) 2459 -2466
6
2008