Detalhe da pesquisa
1.
The ultraviolet and vacuum ultraviolet absorption spectrum of gamma-pyrone; the singlet states studied by configuration interaction and density functional calculations.
J Chem Phys
; 160(5)2024 Feb 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-38341687
2.
Excitation and fragmentation of the dielectric gas C4F7N: Electrons vs photons.
J Chem Phys
; 158(1): 014303, 2023 Jan 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-36610949
3.
The ionic and ground states of gamma-pyrone. The photoionization spectrum studied by synchrotron radiation and interpreted by configuration interaction and density functional calculations.
J Chem Phys
; 158(1): 014304, 2023 Jan 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-36610975
4.
High-level studies of the singlet states of quadricyclane, including analysis of a new experimental vacuum ultraviolet absorption spectrum by configuration interaction and density functional calculations.
J Chem Phys
; 158(23)2023 Jun 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-37318170
5.
The ground and ionized states of azulene: A combined study of the vibrational energy levels by photoionization, configuration interaction, and density functional calculations.
J Chem Phys
; 156(6): 064305, 2022 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-35168351
6.
The excited states of azulene: A study of the vibrational energy levels for the lower ππ*-valence states by configuration interaction and density functional calculations, and theoretical studies of the Rydberg states.
J Chem Phys
; 157(15): 154307, 2022 Oct 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-36272785
7.
A study on the secondary structure of the metalloregulatory protein CueR: effect of pH, metal ions and DNA.
Eur Biophys J
; 50(3-4): 491-500, 2021 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-33907862
8.
The vacuum ultraviolet absorption spectrum of norbornadiene: Vibrational analysis of the singlet and triplet valence states of norbornadiene by configuration interaction and density functional calculations.
J Chem Phys
; 155(3): 034308, 2021 Jul 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-34293869
9.
On the delocalization length in RNA single strands of cytosine: how many bases see the light?
Phys Chem Chem Phys
; 22(4): 2188-2192, 2020 Jan 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-31912828
10.
Circular dichroism, anisotropy and absorption spectroscopy of chlorophyll b in methanol and mixed methanol-water solutions.
Phys Chem Chem Phys
; 22(46): 26961-26966, 2020 Dec 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-33206737
11.
Absolute Photoabsorption Cross-Sections of Methanol for Terrestrial and Astrophysical Relevance.
J Phys Chem A
; 124(41): 8496-8508, 2020 Oct 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-32941031
12.
The vacuum ultraviolet spectrum of cyclohepta-1, 3, 5-triene: Analysis of the singlet and triplet excited states by ab initio and density functional methods.
J Chem Phys
; 153(5): 054301, 2020 Aug 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-32770885
13.
High-level studies of the ionic states of norbornadiene and quadricyclane, including analysis of new experimental photoelectron spectra by configuration interaction and coupled cluster calculations.
J Chem Phys
; 153(20): 204303, 2020 Nov 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-33261475
14.
The ground and ionic states of cyclohepta-1,3,5-triene and their relationship to norcaradiene states: New 1H and 13C NMR spectra and analysis of a new experimental photoelectron spectrum by ab initio methods.
J Chem Phys
; 152(14): 144301, 2020 Apr 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-32295354
15.
Coupled Binding and Helix Formation Monitored by Synchrotron-Radiation Circular Dichroism.
Biophys J
; 117(4): 729-742, 2019 08 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-31378314
16.
Ionic strength and calcium regulate membrane interactions of myelin basic protein and the cytoplasmic domain of myelin protein zero.
Biochem Biophys Res Commun
; 511(1): 7-12, 2019 03 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-30755303
17.
The electronically excited states of cyclooctatetraene-An analysis of the vacuum ultraviolet absorption spectrum by ab initio configuration interaction methods.
J Chem Phys
; 151(8): 084304, 2019 Aug 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-31470696
18.
The ionic states of cyclooctatetraene: Analysis of a new experimental photoelectron spectrum by ab initio and density functional methods.
J Chem Phys
; 150(19): 194305, 2019 May 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-31117784
19.
The photoelectron spectra of the isomeric 1- and 2-methyltetrazoles; their equilibrium structures and vibrational analysis by ab initio calculations.
J Chem Phys
; 149(3): 034305, 2018 Jul 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-30037262
20.
The ionic states of difluoromethane: A reappraisal of the low energy photoelectron spectrum including ab initio configuration interaction computations.
J Chem Phys
; 147(7): 074305, 2017 Aug 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-28830186