Detalhe da pesquisa
1.
Exploring Exact-Factorization-Based Trajectories for Low-Energy Dynamics near a Conical Intersection.
J Phys Chem A
; 2024 Apr 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-38660710
2.
Photofragmentation of cyclobutanone at 200 nm: TDDFT vs CASSCF electron diffraction.
J Chem Phys
; 160(11)2024 Mar 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-38488082
3.
A Photochemical Reaction in Different Theoretical Representations.
J Phys Chem A
; 126(7): 1263-1281, 2022 Feb 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-35157450
4.
Dynamics near a conical intersection-A diabolical compromise for the approximations of ab initio multiple spawning.
J Chem Phys
; 155(17): 174119, 2021 Nov 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-34742188
5.
Comparing (stochastic-selection) ab initio multiple spawning with trajectory surface hopping for the photodynamics of cyclopropanone, fulvene, and dithiane.
J Chem Phys
; 154(10): 104110, 2021 Mar 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-33722031
6.
A molecular perspective on Tully models for nonadiabatic dynamics.
Phys Chem Chem Phys
; 22(27): 15183-15196, 2020 Jul 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-32582887
7.
The 3s Rydberg state as a doorway state in the ultrafast dynamics of 1,1-difluoroethylene.
Phys Chem Chem Phys
; 21(9): 4871-4878, 2019 Feb 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-30778485
8.
Investigating the Photodynamics of trans-Azobenzene with Coupled Trajectories.
J Chem Theory Comput
; 20(2): 580-596, 2024 Jan 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-38177105
9.
On the Nature of Geometric and Topological Phases in the Presence of Conical Intersections.
J Phys Chem Lett
; 14(51): 11625-11631, 2023 Dec 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-38100675
10.
Significance of Energy Conservation in Coupled-Trajectory Approaches to Nonadiabatic Dynamics.
J Chem Theory Comput
; 19(21): 7787-7800, 2023 Nov 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-37853509
11.
Study of the Decoherence Correction Derived from the Exact Factorization Approach for Nonadiabatic Dynamics.
J Chem Theory Comput
; 17(7): 3852-3862, 2021 Jul 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-34138553
12.
Excimer Intermediates en Route to Long-Lived Charge-Transfer States in Single-Stranded Adenine DNA as Revealed by Nonadiabatic Dynamics.
J Phys Chem Lett
; 11(18): 7483-7488, 2020 Sep 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-32794719
13.
On the Theoretical Determination of Photolysis Properties for Atmospheric Volatile Organic Compounds.
J Phys Chem Lett
; 11(14): 5418-5425, 2020 Jul 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-32543205
14.
Tracking the ultraviolet-induced photochemistry of thiophenone during and after ultrafast ring opening.
Nat Chem
; 12(9): 795-800, 2020 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-32690894