Tretiak, Sergei

PRODUCCION CIENTÍFICO TECNOLÓGICA

Mostrando ítems 21-40 de 48

Artículo Modification of Optical Properties and Excited-State Dynamics by Linearizing Cyclic Paraphenylene Chromophores

Rodríguez Hernández, Beatriz ; Ondarse Alvarez, Dianelys ; Oldani, Andres Nicolas ; Martinez Mesa, Aliezer ; Uranga Pina, Llinersy; Tretiak, Sergei; Fernández Alberti, Sebastián (American Chemical Society, 2018-06)
Artículo Monitoring molecular vibronic coherences in a bichromophoric molecule by ultrafast X-ray spectroscopy

Keefer, Daniel; Freixas Lemus, Victor Manuel ; Song, Huajing; Tretiak, Sergei; Fernández Alberti, Sebastián ; Mukamel, Shaul (Royal Society of Chemistry, 2021-04)
Artículo Monitoring vibronic coherences and molecular aromaticity in photoexcited cyclooctatetraene with an X-ray probe: a simulation study

Nam, Yeonsig; Song, Huajing; Freixas Lemus, Victor Manuel ; Keefer, Daniel; Fernández Alberti, Sebastián ; Lee, Jin Yong; Garavelli, Marco; Tretiak, Sergei; Mukamel, Shaul (Royal Society of Chemistry, 2024-02)
Artículo NEXMD Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations

Malone, Walter; Nebgen, Benjamin; White, Alexander; Zhang, Yu; Song, Huajing; Bjorgaard, Josiah A.; Sifain, Andrew E.; Rodríguez Hernández, Beatriz ; Freixas Lemus, Victor Manuel ; Fernández Alberti, Sebastián ; Roitberg, Adrián; Nelson, Tammie R.; Tretiak, Sergei (American Chemical Society, 2020-07)
Artículo Non-adiabatic excited state molecular dynamics of phenylene ethynylene dendrimer using a multiconfigurational Ehrenfest approach

Fernández Alberti, Sebastián ; Makhov, Dmitry V.; Tretiak, Sergei; Shalashilin, Dmitrii V. (Royal Society of Chemistry, 2016-04)
Artículo Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials

Nelson, Tammie R.; White, Alexander J.; Bjorgaard, Josiah A.; Sifain, Andrew E.; Zhang, Yu; Nebgen, Benjamin; Fernández Alberti, Sebastián ; Mozyrsky, Dmitry; Roitberg, Adrián; Tretiak, Sergei (American Chemical Society, 2020-02)
Artículo Nonadiabatic Excited-State Molecular dynamics methodologies: Comparison and convergence

Freixas Lemus, Victor Manuel ; White, Alexander J.; Nelson, Tammie; Song, Huajing; Makhov, Dmitry V.; Shalashilin, Dmitrii; Fernández Alberti, Sebastián ; Tretiak, Sergei (American Chemical Society, 2021-03)
Artículo Nonadiabatic Excited-State Molecular Dynamics with an Explicit Solvent: NEXMD-SANDER Implementation

Tracy, Dustin A.; Fernández Alberti, Sebastián ; Galindo, Johan Fabian; Tretiak, Sergei; Roitberg, Adrian (American Chemical Society, 2024-11)
Artículo Nonadiabatic excited-state molecular dynamics: Numerical tests of convergence and parameters

Nelson, Tammie; Fernández Alberti, Sebastián ; Chernyak, Vladimir; Roitberg, Adrián; Tretiak, Sergei (American Institute of Physics, 2012-01)
Artículo Photoexcitation dynamics in perylene diimide dimers

Mukazhanova, Aliya; Malone, Walter; Negrín Yuvero, Lázaro Hassiel ; Fernández Alberti, Sebastián ; Tretiak, Sergei; Sharifzadeh, Sahar (American Institute of Physics, 2020-12)
Artículo Photoexcited energy relaxation and vibronic couplings in π-conjugated carbon nanorings

Rodríguez Hernández, Beatriz ; Oldani, Andres Nicolas ; Martinez Mesa, Aliezer ; Uranga Pina, Llinersy; Tretiak, Sergei; Fernández Alberti, Sebastián (Royal Society of Chemistry, 2020-07)
Artículo Photoexcited Energy Relaxation in a Zigzag Carbon Nanobelt

Negrín Yuvero, Lázaro Hassiel ; Freixas Lemus, Victor Manuel ; Ondarse Alvarez, Dianelys ; Ledesma, Ana Estela ; Tretiak, Sergei; Fernández Alberti, Sebastián (American Chemical Society, 2023-03)
Artículo Photoexcited Nonadiabatic Dynamics of Solvated Push–Pull π-Conjugated Oligomers with the NEXMD Software

Sifain, Andrew E.; Bjorgaard, Josiah A.; Nelson, Tammie R.; Nebgen, Benjamin T.; White, Alexander J.; Gifford, Brendan J.; Gao, David W.; Prezhdo, Oleg V.; Fernández Alberti, Sebastián ; Roitberg, Adrián; Tretiak, Sergei (American Chemical Society, 2018-06)
Artículo Photoinduced dynamics in cycloparaphenylenes: planarization, electron-phonon coupling, localization and intra-ring migration of the electronic excitation.

Oldani, Andres Nicolas ; Doorn, Stephen; Tretiak, Sergei; Fernández Alberti, Sebastián (Royal Society of Chemistry, 2017-11)
Artículo Photoinduced Dynamics with Constrained Vibrational Motion: FrozeNM Algorithm

Negrín Yuvero, Lázaro Hassiel ; Freixas Lemus, Victor Manuel ; Rodríguez Hernández, Beatriz ; Rojas Lorenzo, G.; Tretiak, Sergei; Bastida, A.; Fernández Alberti, Sebastián (American Chemical Society, 2020-12-08)
Artículo Photoinduced Energy Transfer in Linear Guest-Host Chromophores: A Computational Study

Alfonso Hernandez, Laura ; Oldani, Andres Nicolas ; Athanasopoulos, Stavros; Lupton, J. M.; Tretiak, Sergei; Fernández Alberti, Sebastián (American Chemical Society, 2021-06)
Artículo Photoinduced Intra- and Intermolecular Energy Transfer in Chlorophyll a Dimer

Zheng, Fulu; Fernández Alberti, Sebastián ; Tretiak, Sergei; Zhao, Yang (American Chemical Society, 2017-05)
Artículo Photoinduced non-adiabatic energy transfer pathways in dendrimer building blocks

Freixas Lemus, Victor Manuel ; Ondarse Alvarez, Dianelys ; Tretiak, Sergei; Makhov, D.V.; D. V. Shalashilin; Fernández Alberti, Sebastián (American Institute of Physics, 2019-03)
Artículo Pinning Excited State Self-Trapping with All-Benzene Trefoil Knot

Freixas, Victor M.; Oldani, Andres Nicolas ; Alfonso Hernandez, Laura ; Ondarse Alvarez, Dianelys ; Negrín Yuvero, Lázaro Hassiel ; Galindo, Johan Fabian; Tretiak, Sergei; Fernández Alberti, Sebastián (American Chemical Society, 2025-04)
Artículo Stabilization of Charge-Transfer Excited States in Biological Systems: A Computational Focus on the Special Pair in Photosystem II Reaction Centers

Forde, Aaron; Maity, Sayan; Freixas, Victor M.; Fernández Alberti, Sebastián ; Neukirch, Amanda J.; Kleinekathöfer, Ulrich; Tretiak, Sergei (American Chemical Society, 2024-04)

Mostrando ítems 21-40 de 48