Detalhe da pesquisa
1.
Proton affinity and gas phase basicity of diamandoid molecules: diamantane to C131H116.
Phys Chem Chem Phys
; 24(5): 3470-3477, 2022 Feb 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-35076039
2.
Independent trajectory mixed quantum-classical approaches based on the exact factorization.
J Chem Phys
; 156(17): 174109, 2022 May 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-35525656
3.
PyUNIxMD: A Python-based excited state molecular dynamics package.
J Comput Chem
; 42(24): 1755-1766, 2021 09 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-34197646
4.
Real-Space and Real-Time Propagation for Correlated Electron-Nuclear Dynamics Based on Exact Factorization.
J Chem Theory Comput
; 19(8): 2186-2197, 2023 Apr 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-37022929
5.
Coupled- and Independent-Trajectory Approaches Based on the Exact Factorization Using the PyUNIxMD Package.
Top Curr Chem (Cham)
; 380(1): 8, 2022 Jan 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-35083549
6.
Atomic transistors based on seamless lateral metal-semiconductor junctions with a sub-1-nm transfer length.
Nat Commun
; 13(1): 4916, 2022 Aug 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-35995776
7.
Machine Learning-Assisted Excited State Molecular Dynamics with the State-Interaction State-Averaged Spin-Restricted Ensemble-Referenced Kohn-Sham Approach.
J Chem Theory Comput
; 17(2): 694-702, 2021 Feb 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-33470100
8.
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
9.
Surface Hopping Dynamics beyond Nonadiabatic Couplings for Quantum Coherence.
J Phys Chem Lett
; 9(5): 1097-1104, 2018 Mar 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-29439572