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1
Free Energy Computation for an Isomerizing Chromophore in a Molecular Cavity via the Average Solvent Electrostatic Configuration Model Applications in Rhodopsin and Rhodopsin-Mimicking Systems
Free Energy Computation for an Isomerizing Chromophore in a Molecular Cavity via the Average Solvent Electrostatic Configuration Model Applications in Rhodopsin and Rhodopsin-Mimicking Systems
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Free Energy Computation for an Isomerizing Chromophore in a Molecular Cavity via the Average Solvent Electrostatic Configuration Model Applications in Rhodopsin and Rhodopsin-Mimicking Systems

Dmitrii M. Nikolaev Madushanka Manathunga; Yoelvis Orozco-Gonzalez; Andrey A Shtyrov; Yansel Omar Guerrero Martínez; Mikhail Ryazantsev; Kaline Coutinho; Sylvio Canuto; Massimo Olivucci

Journal of Chemical Theory and Computation Washington: American Chemical Society, 2021 v. 17, n. 9, p. 5885-5895, 11 de agosto de 2021, online

Washington 2021

Item não circula. Consulte sua biblioteca.(Acessar)

2
Origin of the red shift for the lowest singlet 'pi''SETA''pi' POT. *' charge-transfer absorption of p-nitroaniline in supercritical 'C''O' IND. 2'
Origin of the red shift for the lowest singlet 'pi''SETA''pi' POT. *' charge-transfer absorption of p-nitroaniline in supercritical 'C''O' IND. 2'
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Origin of the red shift for the lowest singlet 'pi''SETA''pi' POT. *' charge-transfer absorption of p-nitroaniline in supercritical 'C''O' IND. 2'

Marcelo Hidalgo Roberto Rivelino; Sylvio Roberto Accioly Canuto

JOURNAL OF CHEMICAL THEORY AND COMPUTATION Washington v. 10, n.4, p. 1554-1562, abr. 2014

Washington 2014

Acesso online

3
A simple analysis of the influence of the solvent-induced electronic polarization on the 'ANTPOT. 15'N' magnetic shielding of pyridine in water
A simple analysis of the influence of the solvent-induced electronic polarization on the 'ANTPOT. 15'N' magnetic shielding of pyridine in water
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A simple analysis of the influence of the solvent-induced electronic polarization on the 'ANTPOT. 15'N' magnetic shielding of pyridine in water

Rodrigo M Gester Georg, • Herbert C; Tertius L Fonseca; Patricio F Provasi; Sylvio Canuto

THEORETICAL CHEMISTRY ACCOUNTS: THEORY, COMPUTATION, AND MODELING (THEORETICA CHIMICA ACTA) Berlin v.131, n.5, p.1220, mai.2012

Berlin 2012

Acesso online

4
A simple analysis of the influence of the solvent-induced electronic polarization on the 'ANTPOT. 15'N' magnetic shielding of pyridine in water
A simple analysis of the influence of the solvent-induced electronic polarization on the 'ANTPOT. 15'N' magnetic shielding of pyridine in water
Material Type:
Artigo 		Adicionar ao Meu Espaço

A simple analysis of the influence of the solvent-induced electronic polarization on the 'ANTPOT. 15'N' magnetic shielding of pyridine in water

Rodrigo M Gester Georg, • Herbert C; Tertius L Fonseca; Patricio F Provasi; Sylvio Canuto

THEORETICAL CHEMISTRY ACCOUNTS: THEORY, COMPUTATION, AND MODELING (THEORETICA CHIMICA ACTA) Berlin v.131, n.5, p.1220, mai.2012

Berlin 2012

Acesso online

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Deste Autor:

  1. Canuto, S
  2. Fonseca, T
  3. Provasi, P
  4. Gester, R
  5. Georg

Neste Assunto:

  1. Magnetismo
  2. Polarização
  3. Dióxido De Carbono
  4. TERMODINÂMICA (FÍSICO-QUÍMICA)
  5. Método De Monte Carlo

  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

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