V. V. Prezhdo : rechercher sur Z-Library

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Control of Charge Recombination in Perovskites by Oxidation State of Halide Vacancy

Li, Wei, Sun, Yi-Yang, Li, Linqiu, Zhou, Zhaohui, Tang, Jianfeng, Prezhdo, Oleg V.

Journal:

Journal of the American Chemical Society

Année:

2018

Langue:

english

Fichier:

PDF, 1.61 MB

english, 2018

Shape-controlled synthesis of silver nanoparticles: Ab initio study of preferential surface coordination with citric acid

Dmitri S. Kilin, Oleg V. Prezhdo, Younan Xia

Journal:

Chemical Physics Letters

Année:

2008

Langue:

english

Fichier:

PDF, 365 KB

english, 2008

Aromaticity indices revisited: refinement and application to certain five-membered ring heterocycles

Serghey I Kotelevskii, Oleg V Prezhdo

Journal:

Tetrahedron

Année:

2001

Langue:

english

Fichier:

PDF, 187 KB

english, 2001

Non-adiabatic molecular dynamics simulation of ultrafast solar cell electron transfer

William Stier, Oleg V. Prezhdo

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2003

Langue:

english

Fichier:

PDF, 257 KB

english, 2003

Nanotube devices: Watching electrons in real time

Habenicht, Bradley F., Prezhdo, Oleg V.

Journal:

Nature Nanotechnology

Année:

2008

Langue:

english

Fichier:

PDF, 184 KB

english, 2008

A new model of chemical bonding in ionic melts

Chaban, Vitaly V., Pereverzev, Yuriy V., Prezhdo, Oleg V.

Journal:

The Journal of Chemical Physics

Année:

2012

Langue:

english

Fichier:

PDF, 846 KB

english, 2012

Confinement by Carbon Nanotubes Drastically Alters the Boiling and Critical Behavior of Water Droplets

Chaban, Vitaly V., Prezhdo, Victor V., Prezhdo, Oleg V.

Journal:

ACS Nano

Année:

2012

Langue:

english

Fichier:

PDF, 458 KB

english, 2012

Multiple Exciton Generation and Recombination Dynamics in Small Si and CdSe Quantum Dots: An Ab Initio Time-Domain Study

Hyeon-Deuk, Kim, Prezhdo, Oleg V.

Journal:

ACS Nano

Année:

2012

Langue:

english

Fichier:

PDF, 3.22 MB

english, 2012

Dipole moments of aryldifluoromethylsulfides,-sulfoxides, -sulfones, and aryldifluoromethyl ethers

A. E. Lutskii, E. M. Obukhova, V. V. Prezhdo, L. M. Yagupol'skii, L. Z. Gandel'sman, L. N. Sedova

Journal:

Theoretical and Experimental Chemistry

Année:

1970

Langue:

english

Fichier:

PDF, 140 KB

english, 1970

Colloidal Semiconductor Quantum Dots with Tunable Surface Composition

Wei, Helen Hsiu-Ying, Evans, Christopher M., Swartz, Brett D., Neukirch, Amanda J., Young, Jeremy, Prezhdo, Oleg V., Krauss, Todd D.

Journal:

Nano Letters

Année:

2012

Langue:

english

Fichier:

PDF, 2.79 MB

english, 2012

The PYXAID Program for Non-Adiabatic Molecular Dynamics in Condensed Matter Systems

Akimov, Alexey V., Prezhdo, Oleg V.

Journal:

Journal of Chemical Theory and Computation

Année:

2013

Langue:

english

Fichier:

PDF, 3.15 MB

english, 2013

Influence of Substituents on Phenols Extraction and Dissociation

Prezhdo, Victor V., Prezhdo, Marina V., Loginova, Lidia P., Zubkova, Valentina B.

Journal:

Separation Science and Technology

Année:

2012

Langue:

english

Fichier:

PDF, 756 KB

english, 2012

Herman–Kluk allows analysis of quantum discrete breathers in higher dimensional systems

Igumenshchev, Kirill, Ovchinnikov, Misha, Prezhdo, Oleg V.

Journal:

Molecular Physics

Année:

2012

Langue:

english

Fichier:

PDF, 348 KB

english, 2012

Large-Scale Computations in Chemistry: A Bird’s Eye View of a Vibrant Field

Akimov, Alexey V., Prezhdo, Oleg V.

Journal:

Chemical Reviews

Année:

2015

Langue:

english

Fichier:

PDF, 7.69 MB

english, 2015

SPIE Proceedings [SPIE Optical Science and Technology, SPIE's 48th Annual Meeting - San Diego, CA (Sunday 3 August 2003)] Physical Chemistry of Interfaces and Nanomaterials II - Non-adiabatic molecular dynamics simulation of the ultrafast electron transfer from a molecular electron donor to the TiO2 acceptor

Stier, William, Duncan, Walter R., Prezhdo, Oleg V., Lian, Tianquan, Dai, Hai-Lung

Année:

2003

Langue:

english

Fichier:

PDF, 1.48 MB

english, 2003

SPIE Proceedings [SPIE SPIE NanoScience + Engineering - San Diego, CA (Sunday 2 August 2009)] Physical Chemistry of Interfaces and Nanomaterials VIII - The influence of surface hydration on the interfacial electron transfer dynamics from Rhodamine B into SnO2

Snoeberger III, Robert C., Lian, Tianquan, Batista, Victor S., Monti, Oliver L. A., Prezhdo, Oleg V.

Année:

2009

Langue:

english

Fichier:

PDF, 3.04 MB

english, 2009

Dopants Control Electron-Hole Recombination at Perovskite-TiO2 Interfaces: Ab Initio Time-Domain Study

R. Long, O. V. Prezhdo

Année:

2015

Langue:

english

Fichier:

PDF, 2.33 MB

english, 2015

Electron Solvation in Liquid Ammonia: Lithium, Sodium, Magnesium, and Calcium as Electron Sources

Chaban, Vitaly V., Prezhdo, Oleg V.

Journal:

Journal of Physical Chemistry B

Année:

2016

Langue:

english

Fichier:

PDF, 1.01 MB

english, 2016

Nonadiabatic Molecular Dynamics for Thousand Atom Systems: A Tight-Binding Approach toward PYXAID

Pal, Sougata, Trivedi, Dhara J., Akimov, Alexey V., Aradi, Bálint, Frauenheim, Thomas, Prezhdo, Oleg V.

Journal:

Journal of Chemical Theory and Computation

Année:

2016

Langue:

english

Fichier:

PDF, 2.89 MB

english, 2016

Recent Progress in Surface Hopping: 2011-2015

Wang, Linjun, Akimov, Alexey V., Prezhdo, Oleg V.

Journal:

The Journal of Physical Chemistry Letters

Année:

2016

Langue:

english

Fichier:

PDF, 1.46 MB

english, 2016

Energy Storage in Cubane Derivatives and Their Real-Time Decomposition: Computational Molecular Dynamics and Thermodynamics

Chaban, Vitaly V., Prezhdo, Oleg V.

Journal:

ACS Energy Letters

Année:

2016

Langue:

english

Fichier:

PDF, 1.22 MB

english, 2016

SPIE Proceedings [SPIE SPIE NanoScience + Engineering - San Diego, California (Sunday 1 August 2010)] Physical Chemistry of Interfaces and Nanomaterials IX - Generation of micro- and nano-droplets containing immiscible solutions in view of optical studies

Nastasa, V., Prezhdo, Oleg V., Karapantsios, T., Samaras, K., Dafnopatidou, E., Pradines, V., Miller, R., Pascu, M. L.

Année:

2010

Langue:

english

Fichier:

PDF, 287 KB

english, 2010

Laser-Induced Explosion of Nitrated Carbon Nanotubes: Non-Adiabatic and Reactive Molecular Dynamics Simulations

Chaban, Vitaly V., Pal, Sougata, Prezhdo, Oleg V.

Journal:

Journal of the American Chemical Society

Année:

2016

Langue:

english

Fichier:

PDF, 1.71 MB

english, 2016

Interplay between Localized and Free Charge Carriers Can Explain Hot Fluorescence in the CH3NH3PbBr3 Perovskite: Time-Domain Ab Initio Analysis

Zhang, Zhaosheng, Long, Run, Tokina, Marina V., Prezhdo, Oleg V.

Journal:

Journal of the American Chemical Society

Année:

2017

Langue:

english

Fichier:

PDF, 1023 KB

english, 2017

Lewis Base Passivation of Hybrid Halide Perovskites Slows Electron-Hole Recombination: Time-Domain Ab Initio Analysis

Liu, Lihong, Fang, Weihai, Long, Run, Prezhdo, Oleg V.

Journal:

The Journal of Physical Chemistry Letters

Année:

2018

Langue:

english

Fichier:

PDF, 749 KB

english, 2018

C 2 N-supported single metal ion catalysts for HCOOH dehydrogenation

Zhong, Wenhui, Liu, Yuxia, Deng, Mingsen, Zhang, Yachao, Jia, Chuanyi, Prezhdo, Oleg V., Yuan, Jianyong, Jiang, Jun

Journal:

Journal of Materials Chemistry A

Année:

2018

Langue:

english

Fichier:

PDF, 2.39 MB

english, 2018

ChemInform Abstract: DIPOLMOMENTE VON ARYLDIFLUORMETHYLSULFIDEN, -SULFOXIDEN UND -SULFONEN SOWIE VON ARYLDIFLUORMETHYLAETHERN

LUSTKII, A. E., OBUKHOVA, E. M., PREZHDO, V. V., YAGUPOLS'SKII, L. M., GANDEL'SMAN, L. Z., SEDOVA, L. N.

Journal:

Chemischer Informationsdienst. Organische Chemie

Année:

1971

Fichier:

PDF, 99 KB

1971

Superatom Molecular Orbital as an Interfacial Charge Separation State

Guo, Hongli, Zhao, Chuanyu, Zheng, Qijing, Lan, Zhenggang, Prezhdo, Oleg V., Saidi, Wissam A., Zhao, Jin

Journal:

The Journal of Physical Chemistry Letters

Année:

2018

Langue:

english

Fichier:

PDF, 911 KB

english, 2018

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

Année:

2018

Langue:

english

Fichier:

PDF, 6.98 MB

english, 2018

Persistent Quantum Coherence and Strong Coupling Enable Fast Electron Transfer across the CdS/TiO2 Interface: a Time-domain Ab initio Simulation

Mehdipour, Hamid, Akimov, Alexey V., Jankowska, Joanna, Rezakhanai, Ali T., Tafreshi, Saeedeh S., de Leeuw, Nora H., Moshfegh, Alireza Zaker, Prezhdo, Oleg V.

Journal:

The Journal of Physical Chemistry C

Année:

2018

Langue:

english

Fichier:

PDF, 839 KB

english, 2018

First-principles determination of the ultrahigh electrical and thermal conductivity in free-electron metals via pressure tuning the electron-phonon coupling factor

Giri, Ashutosh, Gaskins, John T., Li, Linqiu, Wang, Yi-Siang, Prezhdo, Oleg V., Hopkins, Patrick E.

Journal:

Physical Review B

Année:

2019

Fichier:

PDF, 2.09 MB

2019

Ehrenfest and classical path dynamics with decoherence and detailed balance

Nijjar, Parmeet, Jankowska, Joanna, Prezhdo, Oleg V.

Journal:

The Journal of Chemical Physics

Année:

2019

Langue:

english

Fichier:

PDF, 3.23 MB

english, 2019

Triplet Excitons in Small Helium Clusters

Nijjar, Parmeet, Krylov, Anna I., Prezhdo, Oleg V., Vilesov, Andrey F., Wittig, Curt

Journal:

Journal of Physical Chemistry A

Année:

2019

Langue:

english

Fichier:

PDF, 5.60 MB

english, 2019

CO2 Photoreduction on Metal Oxide Surface is Driven by Transient Capture of Hot Electrons: Ab initio Quantum Dynamics Simulation

Chu, Weibin, Zheng, Qijing, Prezhdo, Oleg V., Zhao, Jin

Journal:

Journal of the American Chemical Society

Année:

2020

Langue:

english

Fichier:

PDF, 874 KB

english, 2020

Structural Deformation Controls Charge Losses in MAPbI 3 : Unsupervised Machine Learning of Nonadiabatic Molecular Dynamics

Zhou, Guoqing, Chu, Weibin, Prezhdo, Oleg V.

Journal:

ACS Energy Letters

Année:

2020

Fichier:

PDF, 804 KB

2020

Ab initio quantum dynamics of charge carriers in graphitic carbon nitride nanosheets

Agrawal, Sraddha, Lin, Wei, Prezhdo, Oleg V., Trivedi, Dhara J.

Journal:

The Journal of Chemical Physics

Année:

2020

Fichier:

PDF, 2.48 MB

2020

Long-Lived Hot Electron in a Metallic Particle for Plasmonics and Catalysis: Ab Initio Nonadiabatic Molecular Dynamics with Machine Learning

Chu, Weibin, Saidi, Wissam A., Prezhdo, Oleg V.

Journal:

ACS Nano

Année:

2020

Fichier:

PDF, 854 KB

2020

Assessment of Theoretical Approaches to the Evaluation of Dipole Moments of Chromophores for Nonlinear Optics

O.V. Prezhdo

Journal:

Advanced Materials

Année:

2002

Langue:

english

Fichier:

PDF, 85 KB

english, 2002

Determination of the Equilibrium Composition of the Product Mixture in the Reaction of Oxidizing Ammonolysis of Methane

N. V. Trusov, O. V. Prezhdo, G. I. Gryn, V. V. Prezhdo

Journal:

Chemical Engineering & Technology

Année:

2002

Langue:

english

Fichier:

PDF, 197 KB

english, 2002

Thermally Assisted Sub-10 fs Electron Transfer in Dye-Sensitized Nanocrystalline TiO2 Solar Cells

W. Stier, W. R. Duncan, O. V. Prezhdo

Journal:

Advanced Materials

Année:

2004

Langue:

english

Fichier:

PDF, 161 KB

english, 2004

ChemInform Abstract: Synthesis and Properties of Secondary N-Nitroamines.

V. V. Prezhdo, Z. Daszkiewicz, J. B. Kyziol, A. S. Bykova, O. V. Prezhdo

Journal:

ChemInform

Année:

2000

Fichier:

PDF, 27 KB

2000

Synthesis and Scintillating Efficiencies of 2,5-Diarylthiazoles with Intramolecular Hydrogen Bond.

Oleg V. Prezhdo, Irina V. Lysova, Vitalii B. Distanov, Victor V. Prezhdo

Journal:

ChemInform

Année:

2004

Fichier:

PDF, 19 KB

2004

Rhodanine Derivatives as Inhibitors of JSP-1

Neil S. Cutshall, Christine O'Day, Marina Prezhdo

Journal:

ChemInform

Année:

2005

Fichier:

PDF, 13 KB

2005

Synthesis of Sulfides by Reactions of 1,1-Dichloro-2-chloromethylcyclopropane with S-Nucleophiles.

E. I. Mikhed'kina, P. V. Nedel'ko, V. V. Prezhdo

Journal:

ChemInform

Année:

2005

Fichier:

PDF, 24 KB

2005

ChemInform Abstract: Theoretical Aspects of the Biological Catch Bond

Oleg V. Prezhdo, Yuriy V. Pereverzev

Journal:

ChemInform

Année:

2009

Fichier:

PDF, 15 KB

2009

ChemInform Abstract: Photoinduced Dynamics in Semiconductor Quantum Dots: Insights from Time-Domain ab initio Studies

Oleg V. Prezhdo

Journal:

ChemInform

Année:

2010

Fichier:

PDF, 15 KB

2010

ChemInform Abstract: Excited States and Optical Absorption of Small Semiconducting Clusters: Dopants, Defects and Charging

Sean A. Fischer, Christine M. Isborn, Oleg V. Prezhdo

Journal:

ChemInform

Année:

2011

Fichier:

PDF, 18 KB

2011

Macroscopic Order and Electro-Optic Response of Dipolar Chromophore–Polymer Materials

Yuriy V. Pereverzev, Oleg V. Prezhdo, Larry R. Dalton

Journal:

ChemPhysChem

Année:

2004

Langue:

english

Fichier:

PDF, 309 KB

english, 2004

Investigation of the operation time dependence of the yield of ammonia conversion to nitrogen(II) oxide by platinum catalyst sets

Paul A Kozub, Nikolai V Trusov, Grigorii I Gryn, Victor V Prezhdo

Journal:

Journal of Chemical Technology & Biotechnology

Année:

2001

Langue:

english

Fichier:

PDF, 3.51 MB

english, 2001

Studies on proton acceptor ability of SOx-containing compounds

V.V. Prezhdo, O.V. Prezhdo, E.V. Vaschenko

Journal:

Journal of Molecular Structure

Année:

1995

Langue:

english

Fichier:

PDF, 482 KB

english, 1995