Detalhe da pesquisa
1.
Strong Coupling between Localized Surface Plasmons and Molecules by Coupled Cluster Theory.
Nano Lett
; 21(15): 6664-6670, 2021 Aug 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-34283614
2.
Real-time dynamics of plasmonic resonances in nanoparticles described by a boundary element method with generic dielectric function.
J Chem Phys
; 153(18): 184114, 2020 Nov 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-33187410
3.
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems.
J Chem Phys
; 152(12): 124119, 2020 Mar 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-32241132
4.
Equation of motion for the solvent polarization apparent charges in the polarizable continuum model: Application to time-dependent CI.
J Chem Phys
; 146(6): 064116, 2017 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-28201884
5.
Correction: Absolute stereochemistry and preferred conformations of urate degradation intermediates from computed and experimental circular dichroism spectra.
Org Biomol Chem
; 14(14): 3654, 2016 Apr 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-26979238
6.
Equation of motion for the solvent polarization apparent charges in the polarizable continuum model: application to real-time TDDFT.
J Phys Chem A
; 119(21): 5405-16, 2015 May 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-25485456
7.
Wettability of azobenzene self-assembled monolayers.
Langmuir
; 30(15): 4415-21, 2014 Apr 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-24673397
8.
The cavity electromagnetic field within the polarizable continuum model of solvation.
J Chem Phys
; 140(16): 164114, 2014 Apr 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-24784260
9.
Structural properties of azobenzene self-assembled monolayers by atomistic simulations.
Langmuir
; 29(33): 10505-12, 2013 Aug 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-23879669
10.
Absolute stereochemistry and preferred conformations of urate degradation intermediates from computed and experimental circular dichroism spectra.
Org Biomol Chem
; 9(14): 5149-55, 2011 Jul 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-21647520
11.
Salt-tolerance of alkyl-glyceryl ether carboxylates hydrotropes and surfactants. Dramatic effect of the methylation of the glyceryl spacer.
J Colloid Interface Sci
; 585: 808-819, 2021 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-33158559
12.
Nonequilibrium Solvent Polarization Effects in Real-Time Electronic Dynamics of Solute Molecules Subject to Time-Dependent Electric Fields: A New Feature of the Polarizable Continuum Model.
J Chem Theory Comput
; 15(4): 2306-2319, 2019 Apr 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-30860829
13.
On the Binding Free Energy and Molecular Origin of Sickle Cell Hemoglobin Aggregation.
J Phys Chem B
; 122(30): 7475-7483, 2018 08 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-29995412
14.
Pre-critical fluctuations and what they disclose about heterogeneous crystal nucleation.
Nat Commun
; 8(1): 2257, 2017 12 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-29273707
15.
Nuclear Quantum Effects in Water Reorientation and Hydrogen-Bond Dynamics.
J Phys Chem Lett
; 8(12): 2602-2607, 2017 Jun 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-28530836
16.
Real-Time Description of the Electronic Dynamics for a Molecule Close to a Plasmonic Nanoparticle.
J Phys Chem C Nanomater Interfaces
; 120(50): 28774-28781, 2016 Dec 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-28035246
17.
Direct monitoring of opto-mechanical switching of self-assembled monolayer films containing the azobenzene group.
Beilstein J Nanotechnol
; 2: 834-44, 2011.
Artigo
em Inglês
| MEDLINE | ID: mdl-22259768