Detalhe da pesquisa
1.
Dynamic signatures of electronically nonadiabatic coupling in sodium hydride: a rigorous test for the symmetric quasi-classical model applied to realistic, ab initio electronic states in the adiabatic representation.
Phys Chem Chem Phys
; 24(8): 4820-4831, 2022 Feb 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-35156112
2.
A symmetrical quasi-classical windowing model for the molecular dynamics treatment of non-adiabatic processes involving many electronic states.
J Chem Phys
; 150(10): 104101, 2019 Mar 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-30876359
3.
Trajectory-adjusted electronic zero point energy in classical Meyer-Miller vibronic dynamics: Symmetrical quasiclassical application to photodissociation.
J Chem Phys
; 150(19): 194110, 2019 May 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-31117780
4.
External ear cytological results and resident flora of clinically normal alpacas (Vicugna pacos).
Vet Dermatol
; 30(4): 337-e94, 2019 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-31038257
5.
EZH2 inhibition as a therapeutic strategy for lymphoma with EZH2-activating mutations.
Nature
; 492(7427): 108-12, 2012 Dec 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-23051747
6.
The symmetrical quasi-classical approach to electronically nonadiabatic dynamics applied to ultrafast exciton migration processes in semiconducting polymers.
J Chem Phys
; 149(4): 044101, 2018 Jul 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30068189
7.
On the adiabatic representation of Meyer-Miller electronic-nuclear dynamics.
J Chem Phys
; 147(6): 064112, 2017 Aug 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-28810754
8.
Classical molecular dynamics simulation of electronically non-adiabatic processes.
Faraday Discuss
; 195: 9-30, 2016 12 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-27828549
9.
Communication: Wigner functions in action-angle variables, Bohr-Sommerfeld quantization, the Heisenberg correspondence principle, and a symmetrical quasi-classical approach to the full electronic density matrix.
J Chem Phys
; 145(8): 081102, 2016 Aug 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-27586896
10.
A new symmetrical quasi-classical model for electronically non-adiabatic processes: Application to the case of weak non-adiabatic coupling.
J Chem Phys
; 145(14): 144108, 2016 Oct 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-27782507
11.
An alternative to the Sandmeyer approach to aryl iodides.
Chemistry
; 21(17): 6394-8, 2015 Apr 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-25757054
12.
A journey through chemical dynamics.
Annu Rev Phys Chem
; 65: 1-19, 2014.
Artigo
em Inglês
| MEDLINE | ID: mdl-24689795
13.
A Symmetrical Quasi-Classical Spin-Mapping Model for the Electronic Degrees of Freedom in Non-Adiabatic Processes.
J Phys Chem A
; 119(50): 12138-45, 2015 Dec 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-26299361
14.
Communication: Note on detailed balance in symmetrical quasi-classical models for electronically non-adiabatic dynamics.
J Chem Phys
; 142(13): 131103, 2015 Apr 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-25854221
15.
Symmetrical windowing for quantum states in quasi-classical trajectory simulations: application to electron transfer.
J Chem Phys
; 141(8): 084104, 2014 Aug 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-25173002
16.
A quasi-classical mapping approach to vibrationally coupled electron transport in molecular junctions.
J Chem Phys
; 140(10): 104110, 2014 Mar 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-24628155
17.
Classical mapping for Hubbard operators: application to the double-Anderson model.
J Chem Phys
; 140(20): 204106, 2014 May 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-24880265
18.
Scaling dermatosis in three dogs associated with abnormal sebaceous gland differentiation.
Vet Dermatol
; 25(1): 23-e8, 2014 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-24341629
19.
Mitochondrial reactive oxygen species enhance AMP-activated protein kinase activation in the endothelium of patients with coronary artery disease and diabetes.
Clin Sci (Lond)
; 124(6): 403-11, 2013 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-23057846
20.
Symmetrical windowing for quantum states in quasi-classical trajectory simulations.
J Phys Chem A
; 117(32): 7190-4, 2013 Aug 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-23432081