Detalhe da pesquisa
1.
Adiabat-to-Diabat Angle in Seam Space: Renner-Teller-Type and Pseudo-Jahn-Teller-Type Problems.
Chemphyschem
; : e202400130, 2024 Mar 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-38427966
2.
Stability and reactivity of alkylidene dihydropyridines.
Org Biomol Chem
; 22(20): 4052-4056, 2024 May 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-38713056
3.
BF3-Catalyzed Intramolecular Fluorocarbamoylation of Alkynes via Halide Recycling.
J Am Chem Soc
; 145(20): 11012-11018, 2023 May 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-37172320
4.
Exploring the Lewis Acidity and Reactivity of Neutral Pentacoordinate Dithienophospholes.
Chemistry
; 29(32): e202300173, 2023 Jun 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-36971382
5.
Unified one-electron Hamiltonian formalism of spin-orbit Jahn-Teller and pseudo-Jahn-Teller problems in tetrahedral and octahedral symmetries.
J Chem Phys
; 157(6): 064104, 2022 Aug 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-35963721
6.
Design of singlet fission chromophores by the introduction of N-oxyl fragments.
J Chem Phys
; 156(3): 034303, 2022 Jan 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-35065555
7.
The synthesis, properties, and reactivity of Lewis acidic aminoboranes.
Org Biomol Chem
; 19(21): 4796-4802, 2021 Jun 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-33982733
8.
Unified one-electron Hamiltonian formalism of spin-orbit Jahn-Teller and pseudo-Jahn-Teller problems in axial symmetries.
J Chem Phys
; 155(22): 224108, 2021 Dec 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-34911326
9.
Diboron- and Diaza-Doped Anthracenes and Phenanthrenes: Their Electronic Structures for Being Singlet Fission Chromophores.
J Phys Chem A
; 124(40): 8159-8172, 2020 Oct 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-32902270
10.
Charge transfer dynamics at the boron subphthalocyanine chloride/C60 interface: non-adiabatic dynamics study with Libra-X.
Phys Chem Chem Phys
; 20(39): 25275-25294, 2018 Oct 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-30276376
11.
A ground state potential energy surface for HONO based on a neural network with exponential fitting functions.
Phys Chem Chem Phys
; 19(33): 22272-22281, 2017 Aug 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-28805229
12.
Scaling relationships for nonadiabatic energy relaxation times in warm dense matter: toward understanding the equation of state.
Phys Chem Chem Phys
; 18(47): 32466-32476, 2016 Nov 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-27869257
13.
Vibrational energies for HFCO using a neural network sum of exponentials potential energy surface.
J Chem Phys
; 144(17): 174305, 2016 May 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-27155638
14.
The Lack of Triplet Fusion for an Intramolecular Singlet Fission Chromophore: The Expected, the Unexpected, and a Reconciliation.
J Phys Chem Lett
; 15(1): 43-50, 2024 Jan 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-38127796
15.
Ab initio potential energy and dipole moment surfaces for CS2: determination of molecular vibrational energies.
J Phys Chem A
; 117(32): 6925-31, 2013 Aug 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-23199237
16.
Triplet Separation after the Fastest Intramolecular Singlet Fission in the Smallest Chromophore.
J Chem Theory Comput
; 19(7): 2092-2101, 2023 Apr 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-36966419
17.
The Unified Hamiltonian Formalism of Spin-Orbit Jahn-Teller and Pseudo-Jahn-Teller Problems in All Axial Symmetries.
J Chem Theory Comput
; 19(21): 7776-7786, 2023 Nov 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-37847554
18.
Design of the Smallest Intramolecular Singlet Fission Chromophore with the Fastest Singlet Fission.
J Phys Chem Lett
; 13(48): 11076-11085, 2022 Dec 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-36417555
19.
Structure-reactivity studies on hypervalent square-pyramidal dithieno[3,2-b:2',3'-d]phospholes.
Dalton Trans
; 50(6): 2243-2252, 2021 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-33503083
20.
Bis(pentafluorophenyl)phenothiazylborane - an intramolecular frustrated Lewis pair catalyst for stannane dehydrocoupling.
Dalton Trans
; 49(45): 16054-16058, 2020 Nov 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-32134094