Detalhe da pesquisa
1.
Theoretical Spectroscopic Study of Two Ketones of Atmospheric Interest: Methyl Glyoxal (CH3COCHO) and Methyl Vinyl Ketone (CH3COCHâCH2).
J Phys Chem A
; 126(40): 7230-7241, 2022 Oct 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-36178377
2.
Neutral and Multicharged Ions of Small Aluminum Oxides: Structures, Spectroscopy, and Energetics.
J Phys Chem A
; 124(43): 9021-9034, 2020 Oct 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-33064483
3.
Explicitly correlated potential energy surface of the CO2-CO van der Waals dimer and applications.
Phys Chem Chem Phys
; 21(28): 15871-15878, 2019 Jul 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-31282914
4.
Inelastic scattering dynamics of ortho and para hydronium ions, o-H3O+ and p-H3O+, with He at low temperature.
Phys Chem Chem Phys
; 21(22): 11705-11713, 2019 Jun 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-31134992
5.
Effects of complexation with sulfuric acid on the photodissociation of protonated Cinchona alkaloids in the gas phase.
Phys Chem Chem Phys
; 21(28): 15439-15451, 2019 Jul 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-31257399
6.
Stereochemistry-dependent hydrogen bonds stabilise stacked conformations in jet-cooled cyclic dipeptides: (LD) vs. (LL) cyclo tyrosine-tyrosine.
Faraday Discuss
; 212(0): 399-419, 2018 12 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-30229773
7.
Accurate theoretical characterization of dioxygen difluoride: a problem resolved.
Phys Chem Chem Phys
; 20(17): 11826-11832, 2018 May 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-29658019
8.
The gas-phase structure of dimethyl peroxide.
Phys Chem Chem Phys
; 19(32): 21500-21506, 2017 Aug 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-28762422
9.
Does the Residues Chirality Modify the Conformation of a Cyclo-Dipeptide? Vibrational Spectroscopy of Protonated Cyclo-diphenylalanine in the Gas Phase.
J Phys Chem A
; 121(38): 7130-7138, 2017 Sep 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-28873305
10.
Structures and spectroscopy of medium size protonated ammonia clusters at different temperatures, H+(NH3)10-16.
J Chem Phys
; 146(4): 044305, 2017 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-28147547
11.
Solvation energies of the proton in ammonia explicitly versus temperature.
J Chem Phys
; 146(13): 134308, 2017 Apr 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-28390380
12.
Structures and spectroscopy of protonated ammonia clusters at different temperatures.
Phys Chem Chem Phys
; 18(38): 26827-26843, 2016 Sep 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-27722281
13.
Toward the laboratory identification of [O,N,S,S] isomers: Implications for biological NO chemistry.
J Chem Phys
; 144(23): 234316, 2016 Jun 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-27334171
14.
Structures and relative stabilities of ammonia clusters at different temperatures: DFT vs. ab initio.
Phys Chem Chem Phys
; 17(43): 29226-42, 2015 Nov 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-26465346
15.
Potential energy surface of the CO2-N2 van der Waals complex.
J Chem Phys
; 142(17): 174301, 2015 May 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-25956094
16.
On the role of HNS and HSN as light-sensitive NO-donors for delivery in biological media.
J Chem Phys
; 143(13): 134301, 2015 Oct 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-26450308
17.
Explicit correlation treatment of the potential energy surface of CO2 dimer.
J Chem Phys
; 140(23): 234310, 2014 Jun 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-24952544
18.
On the accuracy of explicitly correlated methods to generate potential energy surfaces for scattering calculations and clustering: application to the HCl-He complex.
Phys Chem Chem Phys
; 15(25): 10062-70, 2013 Jul 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-23443908
19.
Structures of protonated methanol clusters and temperature effects.
J Chem Phys
; 138(18): 184301, 2013 May 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-23676038
20.
Mobility gap and quantum transport in a functionalized graphene bilayer.
J Phys Condens Matter
; 30(19): 195701, 2018 May 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-29583128