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1.
Quantum chemistry study of the multiphoton absorption in enhanced green fluorescent protein at the single amino acid residue level.
Chemphyschem
; 23(20): e202200335, 2022 10 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-35875840
2.
The Role of Hydrogen Bonds and Electrostatic Interactions in Enhancing Two-Photon Absorption in Green and Yellow Fluorescent Proteins.
Chemphyschem
; 23(7): e202200003, 2022 04 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-35130370
3.
Removing artifacts in polarizable embedding calculations of one- and two-photon absorption spectra of fluorescent proteins.
J Chem Phys
; 153(21): 215102, 2020 Dec 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-33291919
4.
Initial excited-state relaxation of locked retinal protonated schiff base chromophore. An insight from coupled cluster and multireference perturbation theory calculations.
J Comput Chem
; 39(22): 1720-1727, 2018 08 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-29727036
5.
Is the choice of a standard zeroth-order hamiltonian in CASPT2 ansatz optimal in calculations of excitation energies in protonated and unprotonated schiff bases of retinal?
J Comput Chem
; 39(20): 1470-1480, 2018 07 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-29635695
6.
Excited-state minima and emission energies of retinal chromophore analogues: Performance of CASSCF and CC2 methods as compared with CASPT2.
J Comput Chem
; 38(20): 1799-1810, 2017 07 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-28512740
7.
What is the Optimal Size of the Quantum Region in Embedding Calculations of Two-Photon Absorption Spectra of Fluorescent Proteins?
J Chem Theory Comput
; 16(10): 6439-6455, 2020 Oct 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-32862643
8.
Assessment of Functionals for TDDFT Calculations of One- and Two-Photon Absorption Properties of Neutral and Anionic Fluorescent Proteins Chromophores.
J Chem Theory Comput
; 15(1): 490-508, 2019 Jan 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-30485096
9.
Assessing the Accuracy of Various Ab Initio Methods for Geometries and Excitation Energies of Retinal Chromophore Minimal Model by Comparison with CASPT3 Results.
J Chem Theory Comput
; 12(5): 2346-56, 2016 May 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-27049438
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