Sokol, Alexey: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

1

An Open-Source, Python-Based Redevelopment of the ChemShell Multiscale QM/MM Environment

Lu, You, Farrow, Matthew R., Fayon, Pierre, Logsdail, Andrew J., Sokol, Alexey A., Catlow, C. Richard A., Sherwood, Paul, Keal, Thomas W

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 1.46 MB

english, 2018

2

Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework

Berger, Daniel, Logsdail, Andrew J., Oberhofer, Harald, Farrow, Matthew R., Catlow, C. Richard A., Sherwood, Paul, Sokol, Alexey A., Blum, Volker, Reuter, Karsten

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 983 KB

english, 2014

3

Computational Approaches to Energy Materials (Walsh/Computational) || Computational Techniques

Walsh, Aron, Sokol, Alexey A., Catlow, C. Richard A.

Year:

2013

Language:

english

File:

PDF, 314 KB

english, 2013

4

ChemInform Abstract: Modelling Nano-Clusters and Nucleation

C. Richard A. Catlow, Stefan T. Bromley, Said Hamad, Miguel Mora-Fonz, Alexey A. Sokol, Scott M. Woodley

Journal:

Year:

2010

File:

PDF, 15 KB

2010

5

Zinc oxide: A case study in contemporary computational solid state chemistry

C. Richard A. Catlow, Samuel A. French, Alexey A. Sokol, Abdullah A. Al-Sunaidi, Scott M. Woodley

Journal:

Journal of Computational Chemistry

Year:

2008

Language:

english

File:

PDF, 1.25 MB

english, 2008

6

Thermodynamically Accessible Titanium Clusters Ti N , N =2-32

Lazauskas, Tomas, Sokol, Alexey A, Buckeridge, John, Catlow, C. Richard A., Escher, Susanne Gudrun Elisabeth Thea, Farrow, Matthew R, Mora-Fonz, David, Blum, Volker, Phaahla, Tshegofatso, Chauke, Hasa

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 8.83 MB

english, 2018

7

ChemInform Abstract: Computer Modelling in Solid-State Chemistry

C. Richard A. Catlow, Said Hamad, Devis di Tommaso, Alexey A. Sokol, Scott M. Woodley

Journal:

Year:

2009

File:

PDF, 15 KB

2009

8

Cover Picture: Activation of Carbon Dioxide over Zinc Oxide by Localised Electrons (ChemPhysChem 15/2012)

Dutta, Gargi, Sokol, Alexey A., Catlow, C. Richard A., Keal, Thomas W., Sherwood, Paul

Journal:

Year:

2012

File:

PDF, 545 KB

2012

9

Structural and Optical Properties of Mg and Cd Doped ZnO Nanoclusters

Woodley, Samson B., Sokol, Alexey A., Catlow, C. Richard A., Al-Sunaidi, Abdullah A., Woodley, Scott M.

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 2.70 MB

english, 2013

10

Modelling the chemistry of Mn-doped MgO for bulk and (100) surfaces

Logsdail, Andrew J., Downing, Christopher A., Keal, Thomas W., Sherwood, Paul, Sokol, Alexey A., Catlow, C. Richard A.

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 3.20 MB

english, 2016

11

Hole localization in [AlO[sub 4]][sup 0] defects in silica materials

To, Judy, Sokol, Alexey A., French, Samuel A., Kaltsoyannis, Nikolas, Catlow, C. Richard A.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 540 KB

english, 2005

12

Limits to Doping of Wide Band Gap Semiconductors

Walsh, Aron, Buckeridge, John, Catlow, C. Richard A., Jackson, Adam J., Keal, Thomas W., Miskufova, Martina, Sherwood, Paul, Shevlin, Stephen A., Watkins, Mathew B., Woodley, Scott M., Sokol, Alexey A

Journal:

Chemistry of Materials

Year:

2013

Language:

english

File:

PDF, 309 KB

english, 2013

13

True Structure of Trigonal Bipyramidal SiO 4 F - Species in Siliceous Zeolites

Attfield, Martin P., Catlow, C. Richard A., Sokol, Alexey A.

Journal:

Chemistry of Materials

Year:

2001

Language:

english

File:

PDF, 101 KB

english, 2001

14

from classical and quantum mechanical simulations

Walsh, Aron, Catlow, C. Richard A., Smith, Alastair G. H., Sokol, Alexey A., Woodley, Scott M.

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 496 KB

english, 2011

15

Morphological Features and Band Bending at Nonpolar Surfaces of ZnO

Mora-Fonz, David, Buckeridge, John, Logsdail, Andrew J., Scanlon, David O., Sokol, Alexey A., Woodley, Scott, Catlow, C. Richard A.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 5.50 MB

english, 2015

16

The Fe–C–O–H–N system at 6.3–7.8 GPa and 1200–1400 °C: implications for deep carbon and nitrogen cycles

Sokol, Alexander G., Tomilenko, Anatoly A., Bul’bak, Taras A., Kruk, Alexey N., Zaikin, Pavel A., Sokol, Ivan A., Seryotkin, Yurii V., Palyanov, Yury N.

Journal:

Contributions to Mineralogy and Petrology

Year:

2018

Language:

english

File:

PDF, 2.31 MB

english, 2018

17

Surface structure of zinc oxide (1 0 1̄ 0), using an atomistic, semi-infinite treatment

Lee Whitmore, Alexey A. Sokol, C.Richard A. Catlow

Journal:

Surface Science

Year:

2002

Language:

english

File:

PDF, 483 KB

english, 2002

18

Carbonatite Melt-Peridotite Interaction at 5.5-7.0GPa: Implications for Metasomatism in Lithospheric Mantle

Sokol, Alexander G., Kruk, Alexey N., Chebotarev, Dimity A., Palyanov, Yury N.

Journal:

Year:

2016

Language:

english

File:

PDF, 1.70 MB

english, 2016

19

Cymrite as Mineral Clathrate: An Overlooked Redox Insensitive Transporter of Nitrogen in the Mantle

Sokol, Alexander G., Kupriyanov, Igor N., Seryotkin, Yurii V., Sokol, Ella V., Kruk, Alexey N., Tomilenko, Anatoly A., Bul’bak, Taras A., Palyanov, Yury N.

Journal:

Gondwana Research

Year:

2019

Language:

english

File:

PDF, 8.05 MB

english, 2019

20

Real and virtual polymorphism of titanium selenide with robust interatomic potentials

Mora-Fonz, David, SchÃ¶n, J. Christian, Prehl, Janett, Woodley, Scott M., Catlow, C. Richard A., Shluger, Alexander L., Sokol, Alexey A.

Journal:

Journal of Materials Chemistry A

Year:

2020

File:

PDF, 1.31 MB

2020

21

Oxygen interstitial structures in close-packed metal oxides

Alexey A. Sokol, Aron Walsh, C. Richard A. Catlow

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 406 KB

english, 2010

22

Heat-resistant unfired phosphate ceramics with carbon nanotubes for electromagnetic application

Plyushch, Artyom, Bychanok, Dzmitry, Kuzhir, Polina, Maksimenko, Sergey, Lapko, Konstantin, Sokol, Alexey, Macutkevic, Jan, Banys, Juras, Micciulla, Federico, Cataldo, Antonino, Bellucci, Stefano

Journal:

physica status solidi (a)

Year:

2014

Language:

english

File:

PDF, 538 KB

english, 2014

23

The initial stages of aminosilanol polymerisation

French, Samuel A., Sokol, Alexey A., Catlow, C. Richard A., Kornherr, Andreas, Zifferer, Gerhard

Journal:

Chemical Communications

Year:

2004

Language:

english

File:

PDF, 217 KB

english, 2004

24

methods

Grau-Crespo, Ricardo, Corà, Furio, Sokol, Alexey A., de Leeuw, Nora H., Catlow, C. Richard A.

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 227 KB

english, 2006

25

Ising-like antiferromagnetism on the octahedral sublattice of a cobalt-containing garnet and the potential for quantum criticality

Neer, Abbey J., Milam-Guerrero, JoAnna, So, Justin E., Melot, Brent C., Ross, Kate A., Hulvey, Zeric, Brown, Craig M., Sokol, Alexey A., Scanlon, David O.

Journal:

Physical Review B

Year:

2017

Language:

english

File:

PDF, 1.45 MB

english, 2017

26

Applications of Density Functional Theory in Solid State Chemistry

Stefan T. Bromley, Sam A. French, A. Sokol, Alexey, Peter V. Sushko, C. Richard, A. Catlow

Journal:

Year:

2003

File:

PDF, 53 KB

2003

27

Computational Approaches to Energy Materials (Walsh/Computational) || Energy Generation: Solar Energy

Walsh, Aron, Sokol, Alexey A., Catlow, C. Richard A.

Year:

2013

Language:

english

File:

PDF, 412 KB

english, 2013

28

QM/MM modelling of the TS-1 catalyst using HPCx

To, Judy, Sherwood, Paul, Sokol, Alexey A., Bush, Ian J., Catlow, C. Richard A., van Dam, Huub J. J., French, Samuel A., Guest, Martyn F.

Journal:

Journal of Materials Chemistry

Year:

2006

Language:

english

File:

PDF, 424 KB

english, 2006

29

Structural, energetic and electronic properties of (100) surfaces for alkaline earth metal oxides as calculated with hybrid density functional theory

Logsdail, Andrew J., Mora-Fonz, David, Scanlon, David O., Catlow, C. Richard A., Sokol, Alexey A.

Journal:

Surface Science

Year:

2015

Language:

english

File:

PDF, 706 KB

english, 2015

30

Electrochemical aptasensor for lung cancer-related protein detection in crude blood plasma samples

Zamay, Galina S., Zamay, Tatiana N., Kolovskii, Vasilii A., Shabanov, Alexandr V., Glazyrin, Yury E., Veprintsev, Dmitry V., Krat, Alexey V., Zamay, Sergey S., Kolovskaya, Olga S., Gargaun, Ana, Sokol

Journal:

Scientific Reports

Year:

2016

Language:

english

File:

PDF, 998 KB

english, 2016

31

From CO2 to Methanol by Hybrid QM/MM Embedding

Samuel A. French, Alexey A. Sokol, Stefan T. Bromley, C. Richard A. Catlow, Stephen C. Rogers, Frank King, Paul Sherwood

Journal:

Angewandte Chemie International Edition

Year:

2001

Language:

english

File:

PDF, 242 KB

english, 2001

32

Computational Approaches to Energy Materials (Walsh/Computational) || Toward the Nanoscale

Walsh, Aron, Sokol, Alexey A., Catlow, C. Richard A.

Year:

2013

Language:

english

File:

PDF, 2.02 MB

english, 2013

33

From monomer to monolayer: a global optimisation study of (ZnO) n nanoclusters on the Ag surface

Demiroglu, Ilker, Woodley, Scott M., Sokol, Alexey A., Bromley, Stefan T.

Journal:

Year:

2014

Language:

english

File:

PDF, 2.60 MB

english, 2014

34

Synthesis of 1-substituted 2-azaspiro[4.5]deca-6,9-diene-8-ones and 2-azaspiro[4.5]deca-1,6,9-triene-8-ones by a three-component condensation of 1,2,3-, 1,2,4- or 1,3,5-trimethoxybenzene with isobutyric aldehyde and nitriles

Vladimir A. Glushkov, Olga G. Stryapunina, Alexey A. Gorbunov, Olga A. Maiorova, Pavel A. Slepukhin, Sandra Ya. Ryabukhina, Elena V. Khorosheva, Valentina I. Sokol, Yurii V. Shklyaev

Journal:

Year:

2010

Language:

english

File:

PDF, 598 KB

english, 2010

35

Magnetic properties of Fe2GeMo3N; an experimental and computational study

Battle, Peter D., Sviridov, Lev A., Woolley, Russell J., Grandjean, Fernande, Long, Gary J., Catlow, C. Richard A., Sokol, Alexey A., Walsh, Aron, Woodley, Scott M.

Journal:

Journal of Materials Chemistry

Year:

2012

Language:

english

File:

PDF, 587 KB

english, 2012

36

Fate of fluids at the base of subcratonic lithosphere: Experimental constraints at 5.5–7.8 GPa and 1150–1350 °C

Sokol, Alexander G., Tomilenko, Anatoly A., Bul'bak, Taras A., Kruk, Alexey N., Sokol, Ivan A., Palyanov, Yury N.

Journal:

Year:

2018

Language:

english

File:

PDF, 1.02 MB

english, 2018

37

Interaction of adsorbed organosilanes with polar zinc oxide surfaces: a molecular dynamics study comparing two models for the metal oxide surface

Andreas Kornherr, Samuel A French, Alexey A Sokol, C.Richard A Catlow, Selma Hansal, Wolfgang E.G Hansal, Jürgen O Besenhard, Hermann Kronberger, Gerhard E Nauer, Gerhard Zifferer

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 510 KB

english, 2004

38

Prediction on the existence and chemical stability of cuprous fluoride

Walsh, Aron, Catlow, C. Richard A., Galvelis, Raimondas, Scanlon, David O., Schiffmann, Florian, Sokol, Alexey A., Woodley, Scott M.

Journal:

Chemical Science

Year:

2012

Language:

english

File:

PDF, 369 KB

english, 2012

39

From Ergodicity to Extended Phase Diagrams

Dr. Scott M. Woodley, Dr. Alexey A. Sokol

Journal:

Angewandte Chemie International Edition

Year:

2012

Language:

english

File:

PDF, 832 KB

english, 2012

40

Understanding the interface between oxides and metals

Catlow, C. Richard A., French, Samuel A., Sokol, Alexey A., Alfredsson, Maria, Bromley, Stefan T.

Journal:

Faraday Discussions

Year:

2003

Language:

english

File:

PDF, 858 KB

english, 2003

41

Physical Properties, Intrinsic Defects, and Phase Stability of Indium Sesquioxide

Walsh, Aron, Catlow, C. Richard A., Sokol, Alexey A., Woodley, Scott M.

Journal:

Chemistry of Materials

Year:

2009

Language:

english

File:

PDF, 3.22 MB

english, 2009

42

Development of novel PLGA nanoparticles with co-encapsulation of docetaxel and abiraterone acetate for a highly efficient delivery into tumor cells

Sokol, Mariya B., Nikolskaya, Elena D., Yabbarov, Nikita G., Zenin, Vladimir A., Faustova, Mariya R., Belov, Alexey V., Zhunina, Olga A., Mollaev, Murad D., Zabolotsky, Artur I., Tereshchenko, Oksana

Journal:

Journal of Biomedical Materials Research Part B: Applied Biomaterials

Year:

2018

Language:

english

File:

PDF, 871 KB

english, 2018

43

Morphology of Cu clusters supported on reconstructed polar ZnO (0001) and (0001Ì) surfaces

Higham, Michael D., Mora-Fonz, David, Sokol, Alexey A., Woodley, Scott M., Catlow, C. Richard A.

Journal:

Journal of Materials Chemistry A

Year:

2020

File:

PDF, 3.14 MB

2020

44

Activation of Carbon Dioxide over Zinc Oxide by Localised Electrons

Dr. Gargi Dutta, Dr. Alexey A. Sokol, Prof. C. Richard A. Catlow, Dr. Thomas W. Keal, Dr. Paul Sherwood

Journal:

Year:

2012

Language:

english

File:

PDF, 875 KB

english, 2012

45

The Growth of Copper Clusters over ZnO: the Competition between Planar and Polyhedral Clusters

French, Samuel A., Sokol, Alexey A., Catlow, C. Richard A., Sherwood, Paul

Journal:

The Journal of Physical Chemistry C

Year:

2008

Language:

english

File:

PDF, 781 KB

english, 2008

46

Characterization of hydrogen dissociation over aluminium-doped zinc oxide using an efficient massively parallel framework for QM/MM calculations

Thomas W. Keal, Paul Sherwood, Gargi Dutta, Alexey A. Sokol and C. Richard A. Catlow

Journal:

Proceedings Mathematical Physical & Engineering Sciences

Year:

2011

Language:

english

File:

PDF, 2.80 MB

english, 2011

47

From CO2 to Methanol by Hybrid QM/MM Embedding

Samuel A. French, Alexey A. Sokol, Stefan T. Bromley, C. Richard A. Catlow, Stephen C. Rogers, Frank King, Paul Sherwood

Journal:

Angewandte Chemie

Year:

2001

Language:

english

File:

PDF, 385 KB

english, 2001

48

Structures of Zinc Oxide Nanoclusters: As Found by Revolutionary Algorithm Techniques

Al-Sunaidi, Abdullah A., Sokol, Alexey A., Catlow, C. Richard A., Woodley, Scott M.

Journal:

The Journal of Physical Chemistry C

Year:

2008

Language:

english

File:

PDF, 5.52 MB

english, 2008

49

What is the best or most relevant global minimum for nanoclusters? Predicting, comparing and recycling cluster structures with WASP@N

Woodley, Scott M., Lazauskas, Tomas, Illingworth, Malcolm, Carter, Adam C., Sokol, Alexey A.

Journal:

Faraday Discussions

Year:

2018

Language:

english

File:

PDF, 1.23 MB

english, 2018

50

Morphological Features and Sorption Performance of Materials Based on Birnessite Exposed to Various Reductive Conditions

Portnyagin, Arseniy, Egorin, Andrey, Golikov, Alexey, Tokar, Eduard, Mayorov, Vitaliy, Didenko, Nina, Mashtalyar, Dmitry, Sokol’nitskaya, Tatiana, Avramenko, Valentine

Journal:

Colloids and Interfaces

Year:

2018

Language:

english

File:

PDF, 4.56 MB

english, 2018

To build up a library is to create a life. It’s never just a random collection of books.

— Carlos María Domínguez

Official channel

Z-Library Desktop Launcher

Z-Library Since 2009 support@1delivery.pm

EnglishРусскийEspañolItalianoελληνικάاللغة العربيةBahasa IndonesiaBahasa Malaysiaहिन्दीDeutschFrançaisPortuguêsУкраїнськаPolski中文繁體中文日本語Tiếng ViệtAzərbaycan DiliՀայոց լեզուภาษาไทยTürk Diliქართველიবাংলাپښتوతెలుగుاردو한국어SrpskiБългарски