ReP USP - Resultado da busca

Artigo de periodico
Permutationally restrained diabatization by machine intelligence (2021)
Shu, Yinan; Varga, Zoltan; Oliveira Filho, Antonio Gustavo Sampaio de ; Truhlar, Donald G.
Source: Journal of Chemical Theory and Computation. Unidade: FFCLRP
Subjects: APRENDIZADO COMPUTACIONAL, ESTRUTURA ELETRÔNICA, QUÍMICA TEÓRICA, ACOPLAGEM
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SHU, Yinan et al. Permutationally restrained diabatization by machine intelligence. Journal of Chemical Theory and Computation, v. 17, n. 2, p. 1106-1116, 2021Tradução . . Disponível em: https://doi.org/10.1021/acs.jctc.0c01110. Acesso em: 09 nov. 2025.
APA
Shu, Y., Varga, Z., Oliveira Filho, A. G. S. de, & Truhlar, D. G. (2021). Permutationally restrained diabatization by machine intelligence. Journal of Chemical Theory and Computation, 17( 2), 1106-1116. doi:10.1021/acs.jctc.0c01110
NLM
Shu Y, Varga Z, Oliveira Filho AGS de, Truhlar DG. Permutationally restrained diabatization by machine intelligence [Internet]. Journal of Chemical Theory and Computation. 2021 ; 17( 2): 1106-1116.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jctc.0c01110
Vancouver
Shu Y, Varga Z, Oliveira Filho AGS de, Truhlar DG. Permutationally restrained diabatization by machine intelligence [Internet]. Journal of Chemical Theory and Computation. 2021 ; 17( 2): 1106-1116.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jctc.0c01110
Artigo de periodico
Relativistic prolapse-free Gaussian basis sets of quadruple quality: (aug-)RPF-4Z. III. The f-Block elements (2017)
Teodoro, Tiago Quevedo; Visscher, Lucas; Silva, Alberico Borges Ferreira da ; Haiduke, Roberto Luiz Andrade
Source: Journal of Chemical Theory and Computation. Unidade: IQSC
Assunto: QUÍMICA TEÓRICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
TEODORO, Tiago Quevedo et al. Relativistic prolapse-free Gaussian basis sets of quadruple quality: (aug-)RPF-4Z. III. The f-Block elements. Journal of Chemical Theory and Computation, v. 13. p. 1094-1101, 2017Tradução . . Disponível em: https://doi.org/10.1021/acs.jctc.6b00650. Acesso em: 09 nov. 2025.
APA
Teodoro, T. Q., Visscher, L., Silva, A. B. F. da, & Haiduke, R. L. A. (2017). Relativistic prolapse-free Gaussian basis sets of quadruple quality: (aug-)RPF-4Z. III. The f-Block elements. Journal of Chemical Theory and Computation, 13. p. 1094-1101. doi:10.1021/acs.jctc.6b00650
NLM
Teodoro TQ, Visscher L, Silva ABF da, Haiduke RLA. Relativistic prolapse-free Gaussian basis sets of quadruple quality: (aug-)RPF-4Z. III. The f-Block elements [Internet]. Journal of Chemical Theory and Computation. 2017 ; 13. p. 1094-1101[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jctc.6b00650
Vancouver
Teodoro TQ, Visscher L, Silva ABF da, Haiduke RLA. Relativistic prolapse-free Gaussian basis sets of quadruple quality: (aug-)RPF-4Z. III. The f-Block elements [Internet]. Journal of Chemical Theory and Computation. 2017 ; 13. p. 1094-1101[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jctc.6b00650
Artigo de periodico
Ozone and other 1,3-dipoles: toward a quantitative measure of diradical character (2017)
Braida, Benoit; Galembeck, Sérgio Emanuel; Hiberty, Philippe C
Source: Journal of Chemical Theory and Computation. Unidade: FFCLRP
Subjects: QUÍMICA TEÓRICA, OZÔNIO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
BRAIDA, Benoit e GALEMBECK, Sérgio Emanuel e HIBERTY, Philippe C. Ozone and other 1,3-dipoles: toward a quantitative measure of diradical character. Journal of Chemical Theory and Computation, v. 13, p. 3328-3235, 2017Tradução . . Disponível em: https://doi.org/10.1021/acs.jctc.7b00399. Acesso em: 09 nov. 2025.
APA
Braida, B., Galembeck, S. E., & Hiberty, P. C. (2017). Ozone and other 1,3-dipoles: toward a quantitative measure of diradical character. Journal of Chemical Theory and Computation, 13, 3328-3235. doi:10.1021/acs.jctc.7b00399
NLM
Braida B, Galembeck SE, Hiberty PC. Ozone and other 1,3-dipoles: toward a quantitative measure of diradical character [Internet]. Journal of Chemical Theory and Computation. 2017 ; 13 3328-3235.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jctc.7b00399
Vancouver
Braida B, Galembeck SE, Hiberty PC. Ozone and other 1,3-dipoles: toward a quantitative measure of diradical character [Internet]. Journal of Chemical Theory and Computation. 2017 ; 13 3328-3235.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/acs.jctc.7b00399
Artigo de periodico
Sparse Projected-Gradient Method As a Linear-Scaling Low-Memory Alternative to Diagonalization in Self-Consistent Field Electronic Structure Calculations (2013)
Birgin, Ernesto Julian Goldberg ; Martinez, J M; Martínez, Leandro; Rocha, Gerd B
Source: Journal of Chemical Theory and Computation. Unidade: IME
Subjects: QUÍMICA TEÓRICA, OTIMIZAÇÃO COMBINATÓRIA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
BIRGIN, Ernesto Julian Goldberg et al. Sparse Projected-Gradient Method As a Linear-Scaling Low-Memory Alternative to Diagonalization in Self-Consistent Field Electronic Structure Calculations. Journal of Chemical Theory and Computation, v. 9, n. 2, p. 1043-1051, 2013Tradução . . Disponível em: https://doi.org/10.1021/ct3009683. Acesso em: 09 nov. 2025.
APA
Birgin, E. J. G., Martinez, J. M., Martínez, L., & Rocha, G. B. (2013). Sparse Projected-Gradient Method As a Linear-Scaling Low-Memory Alternative to Diagonalization in Self-Consistent Field Electronic Structure Calculations. Journal of Chemical Theory and Computation, 9( 2), 1043-1051. doi:10.1021/ct3009683
NLM
Birgin EJG, Martinez JM, Martínez L, Rocha GB. Sparse Projected-Gradient Method As a Linear-Scaling Low-Memory Alternative to Diagonalization in Self-Consistent Field Electronic Structure Calculations [Internet]. Journal of Chemical Theory and Computation. 2013 ; 9( 2): 1043-1051.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/ct3009683
Vancouver
Birgin EJG, Martinez JM, Martínez L, Rocha GB. Sparse Projected-Gradient Method As a Linear-Scaling Low-Memory Alternative to Diagonalization in Self-Consistent Field Electronic Structure Calculations [Internet]. Journal of Chemical Theory and Computation. 2013 ; 9( 2): 1043-1051.[citado 2025 nov. 09 ] Available from: https://doi.org/10.1021/ct3009683

USP Schools

ReP

Filtros

Authors

Subjects

Indexado em

Non normalized affiliation