Quantum Theory of Atoms in Molecules Charge−Charge Flux−Dipole Flux Models for the Infrared Intensities of X2CY (X = H, F, Cl; Y = O, S) Molecules
Faria, Sergio H. D. M, da Silva, João Viçozo, Haiduke, Roberto L. A, Vidal, Luciano N, Vazquez, Pedro A. M, Bruns, Roy E
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.08.2007)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.08.2007)
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Molecular Structure-Optical Property Relationship of Salicylidene Derivatives: A Study on the First-Order Hyperpolarizability
Vivas, Marcelo G, Barboza, Cristina A, Germino, Jose C, Fonseca, Ruben D, Silva, Daniel L, Vazquez, Pedro A M, Atvars, Teresa D Z, Mendonça, Cleber R, De Boni, Leonardo
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.01.2021)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.01.2021)
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Excited-State and Two-Photon Absorption in Salicylidene Molecules: The Role of Zn(II) Planarization
Vivas, Marcelo G, Germino, José Carlos, Barboza, Cristina A, Vazquez, Pedro A. M, De Boni, Leonardo, Atvars, Teresa D. Z, Mendonça, Cleber R
Published in Journal of physical chemistry. C (25.02.2016)
Published in Journal of physical chemistry. C (25.02.2016)
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QTAIM charge–charge flux–dipole flux models for the fundamental infrared intensities of BF3 and BCl3
Richter, Wagner E., Silva, Arnaldo F., Pitoli, Andrew C.L., Vazquez, Pedro A.M., Bruns, Roy E.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.12.2013)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.12.2013)
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Electronic and magnetic properties of the [Ni(salophen)]: An experimental and DFT study
Mendes, Rodrigo A., Germino, José Carlos, Fazolo, Bruno R., Thaines, Ericson H.N.S., Ferraro, Franklin, Santana, Anderson M., Ramos, Romildo J., de Souza, Gabriel L.C., Freitas, Renato G., Vazquez, Pedro A.M., Barboza, Cristina A.
Published in Journal of advanced research (01.01.2018)
Published in Journal of advanced research (01.01.2018)
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Core–valence correlation effects on IR calculations: the BF3 and BCl3 cases
Richter, Wagner E., Silva, Arnaldo F., Vidal, Luciano N., Vazquez, Pedro A. M., Bruns, Roy E.
Published in Journal of molecular modeling (01.07.2014)
Published in Journal of molecular modeling (01.07.2014)
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Técnicas de análise do perfil de execução e otimização de programas em química computacional
Gomes, André S. P., Martins, Lucimara R., Vazquez, Pedro A. M.
Published in Química Nova (01.05.2002)
Published in Química Nova (01.05.2002)
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A theoretical investigation on the aminolysis of pyromellitic and 1,4,5,8-naphthalenetetracarboxylic dianhydrides
Schneider, Felipe S.S., Setiadi, Jeffry, Felisberti, Maria Isabel, Vazquez, Pedro A.M., da Conceição, Thiago Ferreira, Heinzelmann, Germano, Caramori, Giovanni Finoto
Published in Computational and theoretical chemistry (01.01.2019)
Published in Computational and theoretical chemistry (01.01.2019)
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Numerical investigation of electroconvection induced by strong unipolar injection between two rotating coaxial cylinders
Traoré, Philippe, Wu, Jian, Louste, Christophe, Duran Olivencia, Francisco, Vázquez, Pedro A., Pérez, Alberto T.
Published in Journal of electrostatics (01.08.2018)
Published in Journal of electrostatics (01.08.2018)
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ChelpG and QTAIM atomic charge and dipole models for the infrared fundamental intensities of the fluorochloromethanes
Gomes, Thiago C. F., Viçozo da Silva, João, Vidal, Luciano N., Vazquez, Pedro A. M., Bruns, Roy E.
Published in Theoretical chemistry accounts (01.10.2008)
Published in Theoretical chemistry accounts (01.10.2008)
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Journal Article
Quantum theory of atoms in molecules charge-charge flux-dipole flux models for the infrared intensities of X(2)CY (X = H, F, Cl; Y = O, S) molecules
Faria, Sergio H D M, da Silva, Jr, João Viçozo, Haiduke, Roberto L A, Vidal, Luciano N, Vazquez, Pedro A M, Bruns, Roy E
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.08.2007)
Get full text
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.08.2007)
Journal Article
Quantum Theory of Atoms in Molecules Charge−Charge Flux−Dipole Flux Models for the Infrared Intensities of X 2 CY (X = H, F, Cl; Y = O, S) Molecules
Faria, Sergio H. D. M., da Silva, João Viçozo, Haiduke, Roberto L. A., Vidal, Luciano N., Vazquez, Pedro A. M., Bruns, Roy E.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.08.2007)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.08.2007)
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Journal Article