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Refinado por: autor: Canuto, S remover
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1
Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods
Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods
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Artigo 		Adicionar ao Meu Espaço

Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods

Henrique Musseli Cezar Kaline Rabelo Coutinho; Sylvio Roberto Accioly Canuto

International Journal of Quantum Chemistry New Jersey v. 119, n. 1, January 5, 2019, e25688

New Jersey 2019

Item não circula. Consulte sua biblioteca.(Acessar)

2
Understanding the absorption spectrum of mesityl oxide dye in solvents of different polarities
Understanding the absorption spectrum of mesityl oxide dye in solvents of different polarities
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Understanding the absorption spectrum of mesityl oxide dye in solvents of different polarities

Henrique Musseli Cezar Sylvio Canuto; Kaline Coutinho

Journal of Molecular Liquids Amsterdan v. 307, 112924, 2020

Amsterdan 2020

Item não circula. Consulte sua biblioteca.(Acessar)

3
DICE: A Monte Carlo Code for Molecular Simulation Including the Configurational Bias Monte Carlo Method
DICE: A Monte Carlo Code for Molecular Simulation Including the Configurational Bias Monte Carlo Method
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DICE: A Monte Carlo Code for Molecular Simulation Including the Configurational Bias Monte Carlo Method

Henrique Musseli Cezar Sylvio Roberto Accioly Canuto; Kaline Rabelo Coutinho

Journal of Chemical Information Modeling New York v. 60, n. 7, p. 3472–3488

New York 2020

Item não circula. Consulte sua biblioteca.(Acessar)

4
A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution
A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution
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A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution

Marcelo Hidalgo Cardenuto Henrique Cezar; Kurt V Mikkelsen; Stephan P.A Sauer; Kaline Coutinho; Sylvio Canuto

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Amterdam v. 251, número do artigo: 119434, 06 de janeiro de 2021, online

Amsterdam 2021

Item não circula. Consulte sua biblioteca.(Acessar)

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Autor/Criador 

  1. Mikkelsen, K  (1)
  2. Cardenuto, M  (1)
  3. Sauer, S  (1)
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Deste Autor:

  1. Coutinho, K
  2. Canuto, S
  3. Cezar, H
  4. Mikkelsen, K
  5. Cardenuto, M

Neste Assunto:

  1. MECÂNICA QUÂNTICA
  2. Solvente
  3. Nanotecnologia
  4. Físico-Química
  5. Modelagem Molecular

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

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