Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
---|---|---|---|
1 |
Material Type: Artigo
|
Multicomponent Quantum Mechanics/Molecular Mechanics Study of Hydrated PositroniumMateus Bergami Andre L. D Santana; Jorge Charry; Andres Reyes; Kaline Rabelo Coutinho; Márcio Teixeira do Nascimento VarellaJournal of Physical Chemistry B Washington: ACS-American Chemical Society, 2022 v. 126, n. 14, p. 2699-2714, 4 de abril de 2022, onlineWashington 2022Item não circula. Consulte sua biblioteca.(Acessar) |
|
2 |
Material Type: Artigo
|
Solvent effects on global reactivity properties for neutral and charged systems using the sequential Monte Carlo quantum mechanics modelPaula Jaramillo Patrícia Perez; Patricio Fuentealba; Kaline Rabelo CoutinhoJournal of Physical Chemistry B v. 113, n. 13, p. 4314-4322, 2009Washington, DC 2009Acesso online |
|
3 |
Material Type: Artigo
|
Solvent effects on global reactivity properties for neutral and charged systems using the sequential Monte Carlo quantum mechanics modelPaula Jaramillo Patrícia Perez; Patricio Fuentealba; Kaline Rabelo CoutinhoJournal of Physical Chemistry B v. 113, n. 13, p. 4314-4322, 2009Washington, DC 2009Acesso online |
|
4 |
Material Type: Artigo
|
A Monte carlo-quantum mechanics study of the solvent-induced spectral shift and the specific role of hydrogen bonds in the conformational equilibrium of furfural in waterRoberto Rivelino Kaline Rabelo Coutinho; Sylvio CanutoJournal of Physical Chemistry B Washington v. 106, p. 47, p. 12317-12322, 2002Washington 2002Item não circula. Consulte sua biblioteca.(Acessar) |
|
5 |
Material Type: Artigo
|
A Monte carlo-quantum mechanics study of the solvent-induced spectral shift and the specific role of hydrogen bonds in the conformational equilibrium of furfural in waterRoberto Rivelino Kaline Rabelo Coutinho; Sylvio CanutoJournal of Physical Chemistry B Washington v. 106, p. 47, p. 12317-12322, 2002Washington 2002Item não circula. Consulte sua biblioteca.(Acessar) |