Electronic properties of water in liquid environment: a sequential QM/MM study using the free energy gradient method (2012)
- Authors:
- USP affiliated authors: CANUTO, SYLVIO ROBERTO ACCIOLY - IF
- Unidades: IF
- Subjects: FÍSICO-QUÍMICA; MECÂNICA QUÂNTICA; MÉTODO DE MONTE CARLO
- Keywords: Physical Chemistry
- Language: Inglês
- Imprenta:
- Source:
- Título do periódico: Journal of Physical Chemistry B
- Volume/Número/Paginação/Ano: v.116, n.36 p.11247–11254
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ABNT
GEORG, Herbert de Castro. Electronic properties of water in liquid environment: a sequential QM/MM study using the free energy gradient method. Journal of Physical Chemistry B, London, v. 116, n. 36 p.11247–11254, 2012. -
APA
Georg, H. de C. (2012). Electronic properties of water in liquid environment: a sequential QM/MM study using the free energy gradient method. Journal of Physical Chemistry B, 116( 36 p.11247–11254). -
NLM
Georg H de C. Electronic properties of water in liquid environment: a sequential QM/MM study using the free energy gradient method. Journal of Physical Chemistry B. 2012 ;116( 36 p.11247–11254): -
Vancouver
Georg H de C. Electronic properties of water in liquid environment: a sequential QM/MM study using the free energy gradient method. Journal of Physical Chemistry B. 2012 ;116( 36 p.11247–11254): - The role of molecular conformation and polarizable embedding for one- and two-photon absorption of disperse orange 3 in solution
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