Detalhe da pesquisa
1.
Ring-polymer Molecular Dynamics Simulation for the Adsorption of H2 on Ice Clusters (H2 O)n (n=8, 10, and 12).
Chemphyschem
; 24(10): e202200939, 2023 May 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-36744394
2.
Dynamics study of the post-transition-state-bifurcation process of the (HCOOH)H+ â CO + H3O+/HCO+ + H2O dissociation: application of machine-learning techniques.
Phys Chem Chem Phys
; 25(20): 14016-14027, 2023 May 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-37161528
3.
Possible Roles of Transition Metal Cations in the Formation of Interstellar Benzene via Catalytic Acetylene Cyclotrimerization.
Molecules
; 28(21)2023 Nov 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-37959873
4.
Ring-Polymer Molecular Dynamics and Kinetics for the H- + C2H2 â H2 + C2H- Reaction Using the Full-Dimensional Potential Energy Surface.
J Phys Chem A
; 126(49): 9244-9258, 2022 Dec 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-36475674
5.
Interstellar Benzene Formation Mechanisms via Acetylene Cyclotrimerization Catalyzed by Fe+ Attached to Water Ice Clusters: Quantum Chemistry Calculation Study.
Molecules
; 27(22)2022 Nov 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-36431867
6.
Non-adiabatic quantum molecular dynamics by the basis expansion leaping multi-configuration Gaussian (BEL MCG) method: Multi-set and single-set formalisms.
J Chem Phys
; 150(14): 144112, 2019 Apr 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-30981261
7.
Accurate quantum molecular dynamics for multidimensional systems by the basis expansion leaping multi-configuration Gaussian (BEL MCG) method.
J Chem Phys
; 149(13): 134113, 2018 Oct 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-30292206
8.
Photochemical dynamics of indolylmaleimide derivatives.
Phys Chem Chem Phys
; 14(32): 11546-55, 2012 Aug 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-22806058
9.
Fluorescence and chemiluminescence properties of indolylmaleimides: experimental and theoretical studies.
Phys Chem Chem Phys
; 12(33): 9783-93, 2010 Sep 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-20571686