G. Vayssilov : rechercher sur Z-Library

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Articles (132)
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Characterization of Oxide Surfaces and Zeolites by Carbon Monoxide as an IR Probe Molecule

Konstantin I. Hadjivanov, Georgi N. Vayssilov

Journal:

ChemInform

Année:

2003

Fichier:

PDF, 73 KB

2003

Greatly facilitated oxygen vacancy formation in ceria nanocrystallites

Bromley, Stefan T., Illas, Francesc, Neyman, Konstantin M., Migani, Annapaola, Vayssilov, Georgi N.

Journal:

Chemical Communications

Année:

2010

Langue:

english

Fichier:

PDF, 1.10 MB

english, 2010

Dramatic reduction of the oxygen vacancy formation energy in ceria particles: a possible key to their remarkable reactivity at the nanoscale

Migani, Annapaola, Vayssilov, Georgi N., Bromley, Stefan T., Illas, Francesc, Neyman, Konstantin M.

Journal:

Journal of Materials Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 675 KB

english, 2010

New method for preparation of delivery systems of poorly soluble drugs on the basis of functionalized mesoporous MCM-41 nanoparticles

Popova, M., Szegedi, A., Yoncheva, K., Konstantinov, S., Petrova, G.P., Aleksandrov, H.A., Vayssilov, G.N., Shestakova, P.

Journal:

Microporous and Mesoporous Materials

Année:

2014

Langue:

english

Fichier:

PDF, 1.03 MB

english, 2014

INTRODUCTORY NOTE TO INTERNATIONAL COURT OF JUSTICE:

Aleksandrov, Hristiyan A., Vayssilov, Georgi N., Rösch, Notker

Journal:

International Legal Materials

Année:

2010

Langue:

english

Fichier:

PDF, 283 KB

english, 2010

How Absorbed Hydrogen Affects the Catalytic Activity of Transition Metals

Aleksandrov, Hristiyan A., Kozlov, Sergey M., Schauermann, Swetlana, Vayssilov, Georgi N., Neyman, Konstantin M.

Journal:

Angewandte Chemie International Edition

Année:

2014

Langue:

english

Fichier:

PDF, 897 KB

english, 2014

Effect of Si/Al Ratio on the Nature and Reactivity of HY Zeolite-Supported Rhodium Dicarbonyl Complexes

Vityuk, Artem, Aleksandrov, Hristiyan A., Vayssilov, Georgi N., Ma, Shuguo, Alexeev, Oleg S., Amiridis, Michael D.

Journal:

The Journal of Physical Chemistry C

Année:

2014

Langue:

english

Fichier:

PDF, 2.66 MB

english, 2014

Hydrogen Adsorption on Small Zeolite-Supported Rhodium Clusters. A Density Functional Study

Markova, Velina K., Vayssilov, Georgi N., Rösch, Notker

Journal:

The Journal of Physical Chemistry C

Année:

2015

Langue:

english

Fichier:

PDF, 2.60 MB

english, 2015

Decomposition behavior of platinum clusters supported on ceria and γ-alumina in the presence of carbon monoxide

Koleva, Iskra Z., Aleksandrov, Hristiyan A., Vayssilov, Georgi N.

Journal:

Catalysis Science & Technology

Année:

2017

Langue:

english

Fichier:

PDF, 1.59 MB

english, 2017

Computational elucidation of the reaction mechanism for synthesis of pyrrolidinedione derivatives via Nef-type rearrangement – cyclization reaction

Ilieva, Eleonora D., Petrova, Galina P., Nikolova, Rositca D., Vayssilov, Georgi N.

Journal:

RSC Advances

Année:

2018

Langue:

english

Fichier:

PDF, 2.00 MB

english, 2018

Design of PEG-modified magnetic nanoporous silica based miltefosine delivery system: Experimental and theoretical approaches

Popova, Margarita, Koseva, Neli, Trendafilova, Ivalina, Lazarova, Hristina, Mitova, Violeta, MihÃ¡ly, Judith, Momekova, Denitsa, Konstantinov, Spiro, Koleva, Iskra Z., Petkov, Petko St., Vayssilov, Ge

Journal:

Microporous and Mesoporous Materials

Année:

2021

Fichier:

PDF, 2.09 MB

2021

Oxidation of Supported Rhodium Clusters by Support Hydroxy Groups

Georgi N. Vayssilov, Bruce C. Gates, Notker Rösch

Journal:

Angewandte Chemie

Année:

2003

Langue:

english

Fichier:

PDF, 109 KB

english, 2003

Oxidation of Supported Rhodium Clusters by Support Hydroxy Groups

Georgi N. Vayssilov, Bruce C. Gates, Notker Rösch

Journal:

Angewandte Chemie International Edition

Année:

2003

Langue:

english

Fichier:

PDF, 109 KB

english, 2003

Catalytic oxidation of anisole over titanium silicalite-1

Dr. Georgi N. Vayssilov, Dr. Zdravka Popova, Dr. Alain Tuel

Journal:

Chemical Engineering & Technology

Année:

1997

Langue:

english

Fichier:

PDF, 432 KB

english, 1997

ChemInform Abstract: Mechanism of Organic Compound Oxidation with Hydrogen Peroxide over Titanium Silicalites

Zdravka Popova, Georgi Vayssilov, Krassimir Genov

Journal:

ChemInform

Année:

1999

Fichier:

PDF, 26 KB

1999

ChemInform Abstract: Density Functional Studies of Alkali-Exchanged Zeolites. Cation Location at Six-Rings of Different Aluminum Content.

Georgi N. Vayssilov, Markus Staufer, Thomas Belling, Konstantin M. Neyman, Helmut Knoezinger, Notker Roesch

Journal:

ChemInform

Année:

1999

Fichier:

PDF, 25 KB

1999

Influence of the solid surface vibrations on the rate constants of surface reactions

G.N. Vayssilov

Journal:

Advances in Colloid and Interface Science

Année:

1993

Langue:

english

Fichier:

PDF, 1.61 MB

english, 1993

Structure and catalytic transformations of lower hydrocarbons on single-crystal surfaces of transition metals

G.N. Vayssilov

Journal:

Advances in Colloid and Interface Science

Année:

1993

Langue:

english

Fichier:

PDF, 1.39 MB

english, 1993

Quantum Brownian motion and classical diffusion

Roumen Tsekov, Georgi N. Vayssilov

Journal:

Chemical Physics Letters

Année:

1992

Langue:

english

Fichier:

PDF, 305 KB

english, 1992

Energy transfer in adsorbed molecule-solid surface vibration interactions

George Vayssilov, Roumen Tsekov

Journal:

Surface Science Letters

Année:

1991

Langue:

english

Fichier:

PDF, 53 KB

english, 1991

Effect of the size of the quantum region in a hybrid embedded-cluster scheme for zeolite systems

Alexei M. Shor, Elena A. Ivanova Shor, Svetlana Laletina, Vladimir A. Nasluzov, Georgi N. Vayssilov, Notker Rösch

Journal:

Chemical Physics

Année:

2009

Langue:

english

Fichier:

PDF, 559 KB

english, 2009

International Symposium: “Catalytic processes on advanced micro- and mesoporous materials”, September 2–5, 2005, Nessebar, Bulgaria

Georgi N. Vayssilov

Journal:

Microporous and Mesoporous Materials

Année:

2006

Langue:

english

Fichier:

PDF, 50 KB

english, 2006

Heterolytic dissociation and recombination of H2 over Zn,H-ZSM-5 zeolites—A density functional model study

Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Notker Rösch

Journal:

Journal of Molecular Catalysis A: Chemical

Année:

2006

Langue:

english

Fichier:

PDF, 234 KB

english, 2006

Enhanced reactivity of carbonyl compounds on MgO surface: A computational study

Galina P. Petrova, Georgi N. Vayssilov, Boris Galabov

Journal:

Journal of Molecular Catalysis A: Chemical

Année:

2011

Langue:

english

Fichier:

PDF, 475 KB

english, 2011

Para-selective alkylation of toluene with methanol over ZSM-5 zeolites: A kinetic model

Georgi Vayssilov, Marin Yankov, Abdul Hamid

Journal:

Applied Catalysis A: General

Année:

1993

Langue:

english

Fichier:

PDF, 724 KB

english, 1993

Coordination state of Cu+ ions in Cu-[Al]MCM-41

K. Chakarova, G. Petrova, M. Dimitrov, L. Dimitrov, G. Vayssilov, T. Tsoncheva, K. Hadjiivanov

Journal:

Applied Catalysis B: Environmental

Année:

2011

Langue:

english

Fichier:

PDF, 1.23 MB

english, 2011

Theoretical investigation of ethane dehydrogenation on cationic Zn species in ZSM-5 zeolites—The second Al center in vicinity of the cation is essential for the accomplishment of the complete catalytic cycle

Hristiyan A. Aleksandrov, Georgi N. Vayssilov

Journal:

Catalysis Today

Année:

2010

Langue:

english

Fichier:

PDF, 505 KB

english, 2010

Density functional study of Ni6 clusters containing impurity atoms

Petko St. Petkov, Georgi N. Vayssilov, Sven Krüger, Notker Rösch

Journal:

Chemical Physics

Année:

2008

Langue:

english

Fichier:

PDF, 374 KB

english, 2008

Density functional modeling of reverse hydrogen spillover on zeolite-supported tetrairidium clusters

Galina P. Petrova, Georgi N. Vayssilov, Notker Rösch

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 263 KB

english, 2007

Hierarchical approach to conformational search and selection of computational method in modeling the mechanism of ester ammonolysis

Miroslav A. Rangelov, Galina P. Petrova, Vihra M. Yomtova, Georgi N. Vayssilov

Journal:

Journal of Molecular Graphics and Modelling

Année:

2010

Langue:

english

Fichier:

PDF, 569 KB

english, 2010

Theoretical elucidation of the regioselectivity in a tandem 1,4-hydride addition/acylation of diethylphosphonocoumarin

Nevena I. Petkova, Georgi N. Vayssilov, Rositca D. Nikolova, Anka G. Bojilova

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2006

Langue:

english

Fichier:

PDF, 412 KB

english, 2006

Dinitrogen as probe molecule of alkali-exchanged zeolites: A density functional study

Georgi N Vayssilov, Anguang Hu, Uwe Birkenheuer, Notker Rösch

Journal:

Journal of Molecular Catalysis A: Chemical

Année:

2000

Langue:

english

Fichier:

PDF, 186 KB

english, 2000

Structural properties of metal-organic frameworks within the density-functional based tight-binding method

Binit Lukose, Barbara Supronowicz, Petko St. Petkov, Johannes Frenzel, Agnieszka B. Kuc, Gotthard Seifert, Georgi N. Vayssilov, Thomas Heine

Journal:

physica status solidi (b)

Année:

2012

Langue:

english

Fichier:

PDF, 585 KB

english, 2012

Quantum chemical model study of the acyl migration in 2′(3′)-formylnucleosides

Miroslav A. Rangelov, Georgi N. Vayssilov, Dimiter D. Petkov

Journal:

International Journal of Quantum Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 286 KB

english, 2006

Preface

Georgi Vayssilov, Tzonka Mineva

Journal:

International Journal of Quantum Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 38 KB

english, 2006

Preface: Third Humboldt Conference on Computational Chemistry

Georgi Vayssilov, Tzonka Mineva

Journal:

International Journal of Quantum Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 46 KB

english, 2007

Influence of BH3 and alkaline cation released from the reduction agent on a tandem reduction/acylation reaction—A computational study

Nevena I. Petkova, Rositca D. Nikolova, Anka G. Bojilova, Georgi N. Vayssilov

Journal:

International Journal of Quantum Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 423 KB

english, 2007

Impurity Atoms on Small Transition Metal Clusters. Insights from Density Functional Model Studies

Notker Rösch, Galina P. Petrova, Petko St. Petkov, Alexander Genest, Sven Krüger, Hristiyan A. Aleksandrov, Georgi N. Vayssilov

Journal:

Topics in Catalysis

Année:

2011

Langue:

english

Fichier:

PDF, 764 KB

english, 2011

Theoretical models for description of the gas-solid surface vibrational interactions

Georgi N. Vayssilov

Journal:

Advances in Colloid and Interface Science

Année:

1995

Langue:

english

Fichier:

PDF, 2.22 MB

english, 1995

Temperature dependence of the rate constant for dissociation of absorbed molecules

G. Vayssilov, R. Tsekov

Journal:

Chemical Physics Letters

Année:

1992

Langue:

english

Fichier:

PDF, 248 KB

english, 1992

Transition metal clusters and supported species with metal–carbon bonds from first-principles quantum chemistry

Konstantin M. Neyman, Georgi N. Vayssilov, Notker Rösch

Journal:

Journal of Organometallic Chemistry

Année:

2004

Langue:

english

Fichier:

PDF, 680 KB

english, 2004

Support nanostructure boosts oxygen transfer to catalytically active platinum nanoparticles

Vayssilov, Georgi N., Lykhach, Yaroslava, Migani, Annapaola, Staudt, Thorsten, Petrova, Galina P., Tsud, Nataliya, Skála, Tomáš, Bruix, Albert, Illas, Francesc, Prince, Kevin C.

Journal:

Nature Materials

Année:

2011

Langue:

english

Fichier:

PDF, 593 KB

english, 2011

Cationic Zinc Species in ZSM-5 Zeolites: Structure and Stability from Embedded Cluster Modeling

Aleksandrov, Hristiyan A., Shor, Elena A. Ivanova, Shor, Alexei M., Nasluzov, Vladimir A., Vayssilov, Georgi N., Rösch, Notker

Journal:

Soft Materials

Année:

2012

Langue:

english

Fichier:

PDF, 327 KB

english, 2012

Reassignment of the Vibrational Spectra of Carbonates, Formates, and Related Surface Species on Ceria: A Combined Density Functional and Infrared Spectroscopy Investigation

Vayssilov, Georgi N., Mihaylov, Mihail, Petkov, Petko St., Hadjiivanov, Konstantin I., Neyman, Konstantin M.

Journal:

The Journal of Physical Chemistry C

Année:

2011

Langue:

english

Fichier:

PDF, 11.27 MB

english, 2011

Bayesian approach to electron correlation in density functional theory

R. Tsekov, G.N. Vayssilov

Journal:

Annalen der Physik

Année:

2012

Langue:

english

Fichier:

PDF, 146 KB

english, 2012

Defects in MOFs: A Thorough Characterization

Prof. Dr. Petko St. Petkov, Prof. Dr. Georgi N. Vayssilov, Dr. Jinxuan Liu, Dr. Osama Shekhah, Dr. Yuemin Wang, Prof. Dr. Christof Wöll, Prof. Dr. Thomas Heine

Journal:

ChemPhysChem

Année:

2012

Langue:

english

Fichier:

PDF, 547 KB

english, 2012

Catalytic Activity of Titanium Silicalites—a DFT Study

Georgi N. Vayssilov, Rutger A. van Santen

Journal:

Journal of Catalysis

Année:

1998

Langue:

english

Fichier:

PDF, 184 KB

english, 1998

Density Functional Studies of Alkali-Exchanged Zeolites: Basicity and Core-Level Shifts of Framework Oxygen Atoms

Georgi N. Vayssilov, Notker Rösch

Journal:

Journal of Catalysis

Année:

1999

Langue:

english

Fichier:

PDF, 166 KB

english, 1999

Determination of the optimal position of adjacent proton-donor centers for the activation or inhibition of peptide bond formation – A computational model study

Miroslav A. Rangelov, Galina P. Petrova, Vihra M. Yomtova, Georgi N. Vayssilov

Journal:

Journal of Molecular Graphics and Modelling

Année:

2011

Langue:

english

Fichier:

PDF, 328 KB

english, 2011

Computational evaluation of the capability of transition metal exchanged zeolites for complete purification of hydrogen for fuel cell applications: the cheapest performs the best

Aleksandrov, Hristiyan A., Petkov, Petko St., Vayssilov, Georgi N.

Journal:

Energy & Environmental Science

Année:

2011

Langue:

english

Fichier:

PDF, 314 KB

english, 2011