Detalhe da pesquisa
1.
Electron binding energies of SO2 at the surface of a water cluster.
J Chem Phys
; 159(23)2023 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-38099545
2.
Ab Initio Approach to the Structure, Vibrational Properties, and Electron Binding Energies of H2SâââSO2.
Molecules
; 28(18)2023 Sep 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-37764431
3.
Preferential solvation and optical properties of eumelanin building blocks in binary mixture of methanol and water.
J Chem Phys
; 155(17): 174504, 2021 Nov 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-34742206
4.
Exploring a near-Hartree-Fock-Kohn-Sham approach to study electronic properties of azobenzene in interaction with gold: From clusters to the Au(111) surface.
J Chem Phys
; 153(21): 214701, 2020 Dec 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-33291928
5.
15N NMR Shifts of Eumelanin Building Blocks in Water: A Combined Quantum Mechanics/Statistical Mechanics Approach.
Molecules
; 25(16)2020 Aug 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-32784827
6.
Electron Propagator Theory Approach to the Electron Binding Energies of a Prototypical Photo-Switch Molecular System: Azobenzene.
J Phys Chem A
; 123(10): 2091-2099, 2019 Mar 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-30779578
7.
Magnetic properties and core electron binding energies of liquid water.
J Chem Phys
; 148(4): 044510, 2018 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-29390846
8.
An electrospray ionization mass spectrometry study of azidoacetic acid/transition metal complexes.
Rapid Commun Mass Spectrom
; 31(12): 1001-1013, 2017 Jun 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-28402603
9.
Correction to "Electron Propagator Theory Approach to the Electron Binding Energies of a Prototypical Photo-Switch Molecular System: Azobenzene".
J Phys Chem A
; 123(35): 7672, 2019 09 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-31448607
10.
Born-Oppenheimer molecular dynamics and electronic properties of chlorophyll-c(2) in liquid methanol.
J Chem Phys
; 138(22): 225102, 2013 Jun 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-23781823
11.
Delocalized water and fluoride contributions to Dyson orbitals for electron detachment from the hydrated fluoride anion.
J Chem Phys
; 132(21): 214507, 2010 Jun 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-20528031
12.
Metastability and weak mixing in classical long-range many-rotator systems.
Phys Rev E Stat Nonlin Soft Matter Phys
; 66(6 Pt 2): 065101, 2002 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-12513334
13.
Azidoacetone as a complexing agent of transition metals Ni2+/Co2+ promoted dissociation of the C-C bond in azidoacetone.
J Mass Spectrom
; 46(7): 696-704, 2011 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-21706676