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Sebastian Fernandez Alberti
Sebastian Fernandez Alberti
Universidad Nacional de Quilmes
Bestätigte E-Mail-Adresse bei unq.edu.ar - Startseite
Titel
Zitiert von
Zitiert von
Jahr
Non-adiabatic excited-state molecular dynamics: Theory and applications for modeling photophysics in extended molecular materials
TR Nelson, AJ White, JA Bjorgaard, AE Sifain, Y Zhang, B Nebgen, ...
Chemical reviews 120 (4), 2215-2287, 2020
3312020
Nonadiabatic excited-state molecular dynamics: Modeling photophysics in organic conjugated materials
T Nelson, S Fernandez-Alberti, AE Roitberg, S Tretiak
Accounts of chemical research 47 (4), 1155-1164, 2014
2472014
Identification of unavoided crossings in nonadiabatic photoexcited dynamics involving multiple electronic states in polyatomic conjugated molecules
S Fernandez-Alberti, AE Roitberg, T Nelson, S Tretiak
The Journal of chemical physics 137 (1), 2012
2252012
Nonadiabatic excited-state molecular dynamics modeling of photoinduced dynamics in conjugated molecules
T Nelson, S Fernandez-Alberti, V Chernyak, AE Roitberg, S Tretiak
The Journal of Physical Chemistry B 115 (18), 5402-5414, 2011
2002011
Self-trapping of excitons, violation of Condon approximation, and efficient fluorescence in conjugated cycloparaphenylenes
L Adamska, I Nayyar, H Chen, AK Swan, N Oldani, S Fernandez-Alberti, ...
Nano letters 14 (11), 6539-6546, 2014
1722014
Nonadiabatic excited-state molecular dynamics: Treatment of electronic decoherence
T Nelson, S Fernandez-Alberti, AE Roitberg, S Tretiak
The Journal of chemical physics 138 (22), 2013
1622013
Factors controlling the reactivity of hydrogen sulfide with hemeproteins
R Pietri, A Lewis, RG León, G Casabona, L Kiger, SR Yeh, ...
Biochemistry 48 (22), 4881-4894, 2009
1332009
Ab initio quantum direct dynamics simulations of ultrafast photochemistry with Multiconfigurational Ehrenfest approach
DV Makhov, C Symonds, S Fernandez-Alberti, DV Shalashilin
Chemical Physics 493, 200-218, 2017
1172017
Evolutionary conservation of protein vibrational dynamics
S Maguid, S Fernandez-Alberti, J Echave
Gene 422 (1-2), 7-13, 2008
1052008
Impact of protein conformational diversity on AlphaFold predictions
T Saldaño, N Escobedo, J Marchetti, DJ Zea, J Mac Donagh, ...
Bioinformatics 38 (10), 2742-2748, 2022
1042022
Nonadiabatic excited-state molecular dynamics: numerical tests of convergence and parameters
T Nelson, S Fernandez-Alberti, V Chernyak, AE Roitberg, S Tretiak
The Journal of chemical physics 136 (5), 2012
1032012
Nonadiabatic molecular dynamics simulations of the energy transfer between building blocks in a phenylene ethynylene dendrimer
S Fernandez-Alberti, VD Kleiman, S Tretiak, AE Roitberg
The Journal of Physical Chemistry A 113 (26), 7535-7542, 2009
962009
Coherent exciton-vibrational dynamics and energy transfer in conjugated organics
TR Nelson, D Ondarse-Alvarez, N Oldani, B Rodriguez-Hernandez, ...
Nature communications 9 (1), 2316, 2018
852018
Exploring the common dynamics of homologous proteins. Application to the globin family
S Maguid, S Fernandez-Alberti, L Ferrelli, J Echave
Biophysical journal 89 (1), 3-13, 2005
852005
Non-radiative relaxation of photoexcited chlorophylls: theoretical and experimental study
WP Bricker, PM Shenai, A Ghosh, Z Liu, MGM Enriquez, PH Lambrev, ...
Scientific reports 5 (1), 13625, 2015
842015
Evolutionary conservation of protein backbone flexibility
S Maguid, S Fernández-Alberti, G Parisi, J Echave
Journal of molecular evolution 63, 448-457, 2006
842006
Unidirectional Energy Transfer in Conjugated Molecules: The Crucial Role of High-Frequency C C Bonds
S Fernandez-Alberti, VD Kleiman, S Tretiak, AE Roitberg
The Journal of Physical Chemistry Letters 1 (18), 2699-2704, 2010
802010
NEXMD software package for nonadiabatic excited state molecular dynamics simulations
W Malone, B Nebgen, A White, Y Zhang, H Song, JA Bjorgaard, AE Sifain, ...
Journal of Chemical Theory and Computation 16 (9), 5771-5783, 2020
762020
Electronic delocalization, vibrational dynamics, and energy transfer in organic chromophores
T Nelson, S Fernandez-Alberti, AE Roitberg, S Tretiak
The journal of physical chemistry letters 8 (13), 3020-3031, 2017
722017
Shishiodoshi unidirectional energy transfer mechanism in phenylene ethynylene dendrimers
S Fernandez-Alberti, AE Roitberg, VD Kleiman, T Nelson, S Tretiak
The Journal of chemical physics 137 (22), 2012
722012
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