Theoretical study of molecules and its interaction with embedding environment (2012)
- Autor:
- Autor USP: COUTINHO, KALINE RABELO - IF
- Unidade: IF
- Subjects: MOLÉCULA; SOLVENTE
- Language: Inglês
- Imprenta:
- Publisher: SBF
- Publisher place: Águas de Lindóia
- Date published: 2012
- Source:
- Título do periódico: Resumo
- Conference titles: XXXV Encontro Nacional de Física da Matéria Condensada
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ABNT
COUTINHO, Kaline. Theoretical study of molecules and its interaction with embedding environment. Anais.. Águas de Lindóia: SBF, 2012. -
APA
Coutinho, K. (2012). Theoretical study of molecules and its interaction with embedding environment. In Resumo. Águas de Lindóia: SBF. -
NLM
Coutinho K. Theoretical study of molecules and its interaction with embedding environment. Resumo. 2012 ; -
Vancouver
Coutinho K. Theoretical study of molecules and its interaction with embedding environment. Resumo. 2012 ; - Theoretical study of donor-acceptor interactions and charge-transfer excitations in complexes of pyridinium derivatives
- QM/MM hybrid method used in the study of solvent effects in molecular properties and reactive processes
- Theoretical studies of hydration effects on electronic absorption spectrum of mesityl oxide molecule
- Estudos teóricos de efeito de solvente em moléculas de interesse biológicos
- Estudos teóricos dos efeitos de solventes em espectros de absorção eletrônica do óxido mesitil, utilizando método hídrido com mecânica quântica e mecânica molecular (S-QM/MM)
- Theoretical study of the effect of phospholipid bilayer in the electronic properties of molecules with biophysical interest
- Tutorial on sequential hybrid quantum mechanics/molecular mechanics methods (S-QM/MM)
- Different structures give similar vibrational spectra: the case of 'O'H' POT. −' in aqueous solution
- Estudando e projetando materiais com computador
- Theoretical studies of solvent effects on electronic absorption spectra of solvatochromic probes
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