Detalhe da pesquisa
1.
Multi-configurational Ehrenfest simulations of ultrafast nonadiabatic dynamics in a charge-transfer complex.
J Chem Phys
; 149(24): 244107, 2018 Dec 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30599718
2.
Controlling charge separation and recombination by chemical design in donor-acceptor dyads.
Phys Chem Chem Phys
; 18(27): 18536-48, 2016 Jul 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-27341086
3.
Simulation of photoelectron spectra using the reflection principle in combination with unrestricted excitation ADC2 to assess the accuracy of excited-state calculations.
Chemphyschem
; 12(17): 3180-91, 2011 Dec 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-22021222
4.
Computation of the S1 â S0 Vibronic Absorption Spectrum of Formaldehyde by Variational Gaussian Wavepacket and Semiclassical IVR Methods.
J Chem Theory Comput
; 14(10): 5310-5323, 2018 Oct 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-30141930
5.
Molecular Packing Determines Charge Separation in a Liquid Crystalline Bisthiophene-Perylene Diimide Donor-Acceptor Material.
J Phys Chem Lett
; 7(7): 1327-34, 2016 Apr 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-26987362
6.
Structure determination from powder data without prior indexing, using a similarity measure based on cross-correlation functions.
Acta Crystallogr B Struct Sci Cryst Eng Mater
; 70(Pt 2): 347-59, 2014 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-24675604