검색결과 : 5건
| No. | Article |
|---|---|
| 1 |
Ab Initio Molecular Dynamics Simulations of Aqueous Glucosamine Solutions: Solvation Structure and Mechanism of Proton Transfer from Water to Amino Group Camargo LTFD, Signini R, Rodrigues ACC, Lopes YF, Camargo AJ Journal of Physical Chemistry B, 124(32), 6986, 2020 |
| 2 |
Explicit Aqueous Solvation Treatment of Epinephrine from Car-Parrinello Molecular Dynamics: Effect of Hydrogen Bonding on the Electronic Absorption Spectrum Neto APV, Machado DFS, Lopes TO, Camargo AJ, de Oliveira HCB Journal of Physical Chemistry B, 122(35), 8439, 2018 |
| 3 |
Stereodirectional Origin of anti-Arrhenius Kinetics for a Tetraatomic Hydrogen Exchange Reaction: Born-Oppenheimer Molecular Dynamics for OH plus HBr Coutinho ND, Aquilanti V, Silva VHC, Camargo AJ, Mundim KC, de Oliveira HCB Journal of Physical Chemistry A, 120(27), 5408, 2016 |
| 4 |
Effect of the Methanol Molecule on the Stabilization of C18H18O4 Crystal: Combined Theoretical and Structural Investigation Sallum LO, Napolitano HB, Carvalho PD, Cidade AF, de Aquino GLB, Coutinho ND, Camargo AJ, Ellena J, de Oliveira HCB, Silva VHC Journal of Physical Chemistry A, 118(43), 10048, 2014 |
| 5 |
Reactivity of radicals generated on irradiation of trans-[Ru(NH3)(4)(NO2)P(OEt)(3)](PF6) Carlos RM, Cardoso DR, Castellano EE, Osti RZ, Camargo AJ, Macedo LG, Franco DW Journal of the American Chemical Society, 126(8), 2546, 2004 |