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1.
Solvent effects on excitation energies obtained using the state-specific TD-DFT method with a polarizable continuum model based on constrained equilibrium thermodynamics.
Phys Chem Chem Phys
; 19(48): 32242-32252, 2017 Dec 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-29188829
2.
Organocatalytic Atroposelective Construction of Pentatomic Heterobiaryl Diamines through Arylation of 5-Aminoisoxazoles with Azonaphthalenes.
Org Lett
; 26(13): 2564-2568, 2024 Apr 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-38514236
3.
Theoretical calculation of reorganization energy for electron self-exchange reaction by constrained density functional theory and constrained equilibrium thermodynamics.
J Phys Chem A
; 117(33): 8017-25, 2013 Aug 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-23895675
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