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1

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, Fernandez-Alberti, Sebastian, Mozyrsky, Dmitry, Roitberg, Adrian E., Tretiak, Sergei

Journal:

Chemical Reviews

Year:

2020

File:

PDF, 19.43 MB

2020

2

Nonadiabatic Excited-State Molecular Dynamics: Modeling Photophysics in Organic Conjugated Materials

Nelson, Tammie, Fernandez-Alberti, Sebastian, Roitberg, Adrian E., Tretiak, Sergei

Journal:

Accounts of Chemical Research

Year:

2014

Language:

english

File:

PDF, 3.29 MB

english, 2014

3

Nonadiabatic excited-state molecular dynamics: Treatment of electronic decoherence

Nelson, Tammie, Fernandez-Alberti, Sebastian, Roitberg, Adrian E., Tretiak, Sergei

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.30 MB

english, 2013

4

Photoexcited Energy Transfer in a Weakly Coupled Dimer

Alfonso Hernandez, Laura, Nelson, Tammie, Tretiak, Sergei, Fernandez-Alberti, Sebastian

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 1.03 MB

english, 2015

5

Nonadiabatic Excited-State Molecular Dynamics Modeling of Photoinduced Dynamics in Conjugated Molecules

Nelson, Tammie, Fernandez-Alberti, Sebastian, Chernyak, Vladimir, Roitberg, Adrian E., Tretiak, Sergei

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 2.73 MB

english, 2011

6

Intermolecular conical intersections in molecular aggregates

De Sio, Antonietta, Sommer, Ephraim, Nguyen, Xuan Trung, GroÃ, Lynn, PopoviÄ, DuÅ¡ko, Nebgen, Benjamin Tyler, Fernandez-Alberti, Sebastian, Pittalis, Stefano, Rozzi, Carlo Andrea, Molinari, Elisa, M

Journal:

Nature Nanotechnology

Year:

2020

File:

PDF, 4.49 MB

2020

7

Identification of unavoided crossings in nonadiabatic photoexcited dynamics involving multiple electronic states in polyatomic conjugated molecules

Fernandez-Alberti, Sebastian, Roitberg, Adrian E., Nelson, Tammie, Tretiak, Sergei

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.53 MB

english, 2012

8

Novel System for Distributed Energy Generation from a Small Scale Concentrated Solar Power

Crema, Luigi, Alberti, Fabrizio, Wackelgard, Ewa, Rivolta, Barbara, Hesse, Sebastian, Luminari, Lorenzo, Hislop, Drummond, Restall, Brian

Journal:

Energy Procedia

Year:

2014

Language:

english

File:

PDF, 724 KB

english, 2014

9

Pushing the Boundaries of Interfacial Sensitivity in Graphene FET Sensors: Polyelectrolyte Multilayers Strongly Increase the Debye Screening Length

Piccinini, Esteban, Alberti, Sebastián, Longo, Gabriel S., Berninger, Teresa, Breu, Josef, Dostalek, Jakub, Azzaroni, Omar, Knoll, Wolfgang

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 1.04 MB

english, 2018

10

Artifacts due to trivial unavoided crossings in the modeling of photoinduced energy transfer dynamics in extended conjugated molecules

Nelson, Tammie, Fernandez-Alberti, Sebastian, Roitberg, Adrian E., Tretiak, Sergei

Journal:

Chemical Physics Letters

Year:

2013

Language:

english

File:

PDF, 775 KB

english, 2013

11

Signature of Nonadiabatic Coupling in Excited-State Vibrational Modes

Soler, Miguel A., Nelson, Tammie, Roitberg, Adrian E., Tretiak, Sergei, Fernandez-Alberti, Sebastian

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 428 KB

english, 2014

12

Photoinduced Intra- and Intermolecular Energy Transfer in Chlorophyll a Dimer

Zheng, Fulu, Fernandez-Alberti, Sebastian, Tretiak, Sergei, Zhao, Yang

Journal:

Journal of Physical Chemistry B

Year:

2017

Language:

english

File:

PDF, 1.91 MB

english, 2017

13

Network analysis of dynamically important residues in protein structures mediating ligand-binding conformational changes

Saldaño, Tadeo E., Tosatto, Silvio C. E., Parisi, Gustavo, Fernandez-Alberti, Sebastian

Journal:

European Biophysics Journal

Year:

2019

Language:

english

File:

PDF, 1.58 MB

english, 2019

14

Non-adiabatic excited state molecular dynamics of phenylene ethynylene dendrimer using a multiconfigurational Ehrenfest approach

Fernandez-Alberti, Sebastian, Makhov, Dmitry V., Tretiak, Sergei, Shalashilin, Dmitrii V.

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.36 MB

english, 2016

15

Gated supramolecular chemistry in hybrid mesoporous silica nanoarchitectures: controlled delivery and molecular transport in response to chemical, physical and biological stimuli

Alberti, Sebastián, Soler-Illia, Galo J. A. A., Azzaroni, Omar

Journal:

Chemical Communications

Year:

2015

Language:

english

File:

PDF, 4.48 MB

english, 2015

16

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

Rodriguez-Hernandez, Beatriz, Ondarse-Alvarez, Dianelys, Oldani, Nicolas, Martinez-Mesa, Aliezer, Uranga-Pina, Llinersy, Tretiak, Sergei, Fernandez-Alberti, Sebastian

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 8.80 MB

english, 2018

17

Electronic Delocalization, Vibrational Dynamics, and Energy Transfer in Organic Chromophores

Nelson, Tammie, Fernandez-Alberti, Sebastian, Roitberg, Adrian E., Tretiak, Sergei

Journal:

The Journal of Physical Chemistry Letters

Year:

2017

Language:

english

File:

PDF, 2.21 MB

english, 2017

18

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., Fernandez-Alberti, Sebastian, Roitberg, Adri

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 6.98 MB

english, 2018

19

Increase of Enterobacter in neonatal sepsis: a twenty-two-year study

HERVAS, JUAN A., BALLESTEROS, FRANCISCA, ALOMAR, ANTOLINA, GIL, JOSE, BENEDI, VICENTE J., ALBERTI, SEBASTIAN

Journal:

Pediatric Infectious Disease Journal

Year:

2001

Language:

english

File:

PDF, 249 KB

english, 2001

20

Phonon bottleneck and long-lived excited states in π-conjugated pyrene hoop

Franklin-Mergarejo, Ricardo, Nelson, Tammie, Tretiak, Sergei, Fernandez-Alberti, Sebastian

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 5.97 MB

english, 2017

21

The Antimicrobials Anacardic Acid and Curcumin Are Not-Competitive Inhibitors of Gram-Positive Bacterial Pathogenic Glyceraldehyde-3-Phosphate Dehydrogenase by a Mechanism Unrelated to Human C5a Anaphylatoxin Binding

Gómez, Sara, Querol-García, Javier, Sánchez-Barrón, Gara, Subias, Marta, González-Alsina, Àlex, Franco-Hidalgo, Virginia, Albertí, Sebastián, Rodríguez de Córdoba, Santiago, Fernández, Francisco J., V

Journal:

Frontiers in Microbiology

Year:

2019

Language:

english

File:

PDF, 4.98 MB

english, 2019

22

Molecular Dynamics Simulations and Instantaneous Normal-Mode Analysis of the Vibrational Relaxation of the C−H Stretching Modes of N -methylacetamide- d in Liquid Deuterated Water

Bastida, Adolfo, Soler, Miguel A., Zúñiga, José, Requena, Alberto, Kalstein, Adrián, Fernández-Alberti, Sebastian

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.68 MB

english, 2010

23

ChemInform Abstract: Gated Supramolecular Chemistry in Hybrid Mesoporous Silica Nanoarchitectures: Controlled Delivery and Molecular Transport in Response to Chemical, Physical and Biological Stimuli

Alberti, Sebastian, Soler-Illia, Galo J. A. A., Azzaroni, Omar

Journal:

Year:

2015

File:

PDF, 12 KB

2015

24

Chagas disease vaccine design: the search for an efficient Trypanosoma cruzi immune-mediated control

Bivona, Augusto E., Alberti, Andrés Sánchez, Cerny, Natacha, Trinitario, Sebastián N., Malchiodi, Emilio L.

Journal:

Biochimica et Biophysica Acta (BBA) - Molecular Basis of Disease

Year:

2020

File:

PDF, 1.51 MB

2020

25

Vibrational energy redistribution during donor-acceptor electronic energy transfer: criteria to identify subsets of active normal modes

Alfonso-Hernandez, Laura, ATHANASOPOULOS, Stavros, Tretiak, Sergei, Miguel, Beatriz, Bastida, Adolfo, Fernandez-Alberti, Sebastian

Journal:

Physical Chemistry Chemical Physics

Year:

2020

File:

PDF, 2.89 MB

2020

26

Dynamics of exciplex formation in rare gas media

Germán Rojas-Lorenzo, Jesús Rubayo-Soneira, Sebastián Fernández Alberti

Journal:

Chemical Physics

Year:

2009

Language:

english

File:

PDF, 905 KB

english, 2009

27

Structure of the has operon promoter and regulation of hyaluronic acid capsule expression in group A Streptococcus

Sebastián Albertí, Cameron D. Ashbaugh, Michael R. Wessels

Journal:

Molecular Microbiology

Year:

1998

Language:

english

File:

PDF, 615 KB

english, 1998

28

Surfactant protein A recognizes outer membrane protein OprH on Pseudomonas aeruginosa chronic infection isolates

Qadi, Mohammad, Lopez-Causapé, Carla, Izquierdo-Rabassa, Sofia, Mateu Borrás, Margalida, Goldberg, Joanna B., Oliver, Antonio, Albertí, Sebastián

Journal:

The Journal of Infectious Diseases

Year:

2016

Language:

english

File:

PDF, 1.07 MB

english, 2016

29

Chemical stability of mesoporous oxide thin film electrodes under electrochemical cycling: from dissolution to stabilization

Alberti, Sebastián, Steinberg, Paula, Gimenez, Gustavo, Amenitsch, Heinz, Ybarra, Gabriel, Azzaroni, Omar, Angelomé, Paula C., Soler-Illia, Galo J. A. A.

Journal:

Year:

2019

Language:

english

File:

PDF, 964 KB

english, 2019

30

Exciton Spatial Dynamics and Self-Trapping in Carbon Nanocages

RodrÃguez-HernÃ¡ndez, Beatriz, Nelson, Tammie, Oldani, Nicolas, MartÃnez-Mesa, Aliezer, Uranga-PiÃ±a, Llinersy, Segawa, Yasutomo, Tretiak, Sergei, Itami, Kenichiro, Fernandez-Alberti, Sebastian

Journal:

The Journal of Physical Chemistry Letters

Year:

2020

File:

PDF, 1.45 MB

2020

31

Factors Controlling the Reactivity of Hydrogen Sulfide with Hemeproteins

Pietri, Ruth, Lewis, Ariel, León, Ruth G., Casabona, Gullermina, Kiger, Laurent, Yeh, Syun-Ru, Fernandez-Alberti, Sebastian, Marden, Michael C., Cadilla, Carmen L., López-Garriga, Juan

Journal:

Year:

2009

Language:

english

File:

PDF, 2.83 MB

english, 2009

32

Pseudomonas aeruginosa EftM Is a Thermoregulated Methyltransferase

Owings, Joshua P., Kuiper, Emily G., Prezioso, Samantha M., Meisner, Jeffrey, Varga, John J., Zelinskaya, Natalia, Dammer, Eric B., Duong, Duc M., Seyfried, Nicholas T., Albertí, Sebastián, Conn, Grae

Journal:

Journal of Biological Chemistry

Year:

2016

Language:

english

File:

PDF, 2.16 MB

english, 2016

33

Dynamics fingerprints of active conformers of epidermal growth factor receptor kinase

Barletta, German P., Hasenhuer, Marcia Anahi, Fornasari, Maria Silvina, Parisi, Gustavo, Fernandez-Alberti, Sebastian

Journal:

Journal of Computational Chemistry

Year:

2018

Language:

english

File:

PDF, 1.21 MB

english, 2018

34

Fission Yeast Does Not Age under Favorable Conditions, but Does So after Stress

Coelho, Miguel, Dereli, Aygül, Haese, Anett, Kühn, Sebastian, Malinovska, Liliana, DeSantis, Morgan E., Shorter, James, Alberti, Simon, Gross, Thilo, Tolić-Nørrelykke, Iva M.

Journal:

Current Biology

Year:

2013

Language:

english

File:

PDF, 1.55 MB

english, 2013

35

Thermosensitive Cation-Selective Mesochannels: PNIPAM-Capped Mesoporous Thin Films as Bioinspired Interfacial Architectures with Concerted Functions

Schmidt, Sonja, Alberti, Sebastián, Vana, Philipp, Soler-Illia, Galo, Azzaroni, Omar

Journal:

Chemistry - A European Journal

Year:

2017

Language:

english

File:

PDF, 2.34 MB

english, 2017

36

Ultrafast Non-Förster Intramolecular Donor–Acceptor Excitation Energy Transfer

Athanasopoulos, Stavros, Alfonso Hernandez, Laura, Beljonne, David, Fernandez-Alberti, Sebastian, Tretiak, Sergei

Journal:

The Journal of Physical Chemistry Letters

Year:

2017

Language:

english

File:

PDF, 8.08 MB

english, 2017

37

Tax and Semaphorin 4D Released from Lymphocytes Infected with Human Lymphotropic Virus Type 1 and Their Effect on Neurite Growth

Quintremil, Sebastián, Alberti, Carolina, Rivera, Matías, Medina, Fernando, Puente, Javier, Cartier, Luis, Ramírez, Eugenio, Tanaka, Yuetsu, Valenzuela, M. Antonieta

Journal:

AIDS Research and Human Retroviruses

Year:

2015

Language:

english

File:

PDF, 614 KB

english, 2015

38

Correction to “Dynamics of Energy Transfer in a Conjugated Dendrimer Driven by Ultrafast Localization of Excitations”

Galindo, Johan F., Atas, Evrim, Altan, Aysun, Kuroda, Daniel G., Fernandez-Alberti, Sebastian, Tretiak, Sergei, Roitberg, Adrian E., Kleiman, Valeria D.

Journal:

Journal of the American Chemical Society

Year:

2015

File:

PDF, 121 KB

2015

39

[IEEE 2014 XL Latin American Computing Conference (CLEI) - Montevideo, Uruguay (2014.9.15-2014.9.19)] 2014 XL Latin American Computing Conference (CLEI) - Knowledge management steps, tools, techniques and influencing factors in SMEs: Systematic literature review

Garbarino-Alberti, Helena, Pastorino, Sebastian Ayala

Year:

2014

File:

PDF, 265 KB

2014

40

Approach Behaviour, Stress and Substance Use in Young Adults

Hinnant, J. Benjamin, Forman-Alberti, Alissa B., Aquino, Ana K., Szollos, Sebastian, Degnan, Kathryn A.

Journal:

Stress and Health

Year:

2016

Language:

english

File:

PDF, 101 KB

english, 2016

41

Mucosal Heterologous Prime/Boost Vaccination Induces Polyfunctional Systemic Immunity, Improving Protection Against Trypanosoma cruzi

Sanchez Alberti, AndrÃ©s, Bivona, Augusto E., Matos, Marina N., Cerny, Natacha, Schulze, Kai, WeiÃmann, Sebastian, Ebensen, Thomas, GonzÃ¡lez, GermÃ¡n, Morales, Celina, Cardoso, Alejandro C., Cazorla

Journal:

Frontiers in Immunology

Year:

2020

File:

PDF, 6.46 MB

2020

42

Theoretical study of the solvatochromism of a merocyanine dye

Sebastián Fernández Alberti, Julián Echave

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 748 KB

english, 1997

43

Tax Posttranslational Modifications and Interaction with Calreticulin in MT-2 Cells and Human Peripheral Blood Mononuclear Cells of Human T Cell Lymphotropic Virus Type-I-Associated Myelopathy/Tropical Spastic Paraparesis Patients

Medina, Fernando, Quintremil, Sebastian, Alberti, Carolina, Barriga, Andres, Cartier, Luis, Puente, Javier, Ramírez, Eugenio, Ferreira, Arturo, Tanaka, Yuetsu, Valenzuela, Maria Antonieta

Journal:

AIDS Research and Human Retroviruses

Year:

2014

Language:

english

File:

PDF, 441 KB

english, 2014

44

Nonadiabatic Molecular Dynamics Simulations of the Energy Transfer between Building Blocks in a Phenylene Ethynylene Dendrimer †

Fernandez-Alberti, Sebastian, Kleiman, Valeria D., Tretiak, Sergei, Roitberg, Adrian E.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.63 MB

english, 2009

45

Antioxidant Neolignans from Cordia americana

Fernández, Lucía, Cirigliano, Adriana, Fabani, María, Lima, Beatriz, Alberti, Sebastián, Kramer, Fernando, Tapia, Alejandro, Cabrera, Gabriela, Palermo, Jorge, Sánchez, Marianela

Journal:

Year:

2013

Language:

english

File:

PDF, 175 KB

english, 2013

46

An ab initio multiple cloning approach for the simulation of photoinduced dynamics in conjugated molecules

Freixas, Victor M., Fernandez-Alberti, Sebastian, Makhov, Dmitry V., Tretiak, Sergei, Shalashilin, Dmitrii

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 3.00 MB

english, 2018

47

Evolutionary Conserved Positions Define Protein Conformational Diversity

Saldaño, Tadeo E., Monzon, Alexander M., Parisi, Gustavo, Fernandez-Alberti, Sebastian, Keskin, Ozlem

Journal:

PLoS Computational Biology

Year:

2016

Language:

english

File:

PDF, 1.68 MB

english, 2016

48

Infecciones invasoras por estreptococos del grupo A: características clínicas y análisis microbiológico de 31 casos

Bosch, Teresa, Riera, Melchor, Galmés, Maribel, Ramírez, Antonio, Albertí, Sebastián, Chaves, José, Perea, Evelio J.

Journal:

Enfermedades Infecciosas y Microbiología Clínica

Year:

2001

File:

PDF, 40 KB

2001

49

Hybrid Quantum/Classical Simulations of the Vibrational Relaxation of the Amide I Mode of N -Methylacetamide in D 2 O Solution

Bastida, Adolfo, Soler, Miguel A., Zúñiga, José, Requena, Alberto, Kalstein, Adrián, Fernández-Alberti, Sebastián

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 1.50 MB

english, 2012

50

Coherent exciton-vibrational dynamics and energy transfer in conjugated organics

Nelson, Tammie R., Ondarse-Alvarez, Dianelys, Oldani, Nicolas, Rodriguez-Hernandez, Beatriz, Alfonso-Hernandez, Laura, Galindo, Johan F., Kleiman, Valeria D., Fernandez-Alberti, Sebastian, Roitberg, A

Journal:

Nature Communications

Year:

2018

Language:

english

File:

PDF, 1.33 MB

english, 2018

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