Catlow, Richard: search on Z-Library

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1

Band alignment of rutile and anatase TiO2

Scanlon, David O., Dunnill, Charles W., Buckeridge, John, Shevlin, Stephen A., Logsdail, Andrew J., Woodley, Scott M., Catlow, C. Richard A., Powell, Michael. J., Palgrave, Robert G., Parkin, Ivan P.,

Journal:

Nature Materials

Year:

2013

Language:

english

File:

PDF, 538 KB

english, 2013

2

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

3

DFT-assisted Spectroscopic Studies on the Coordination of Small Ligands to Palladium: From Isolated Ions to Nanoparticles

Campisi, Sebastiano, Beevers, Cameron, Nasrallah, Ali, Catlow, C. Richard A., Chan-Thaw, Carine E, Manzoli, Maela, Dimitratos, Nikolaos, Willock, David J., Roldan, Alberto, Villa, Alberto

Journal:

The Journal of Physical Chemistry C

Year:

2020

File:

PDF, 1.25 MB

2020

4

Structure, stability and work functions of the low index surfaces of pure indium oxide and Sn-doped indium oxide (ITO) from density functional theory

Walsh, Aron, Catlow, C. Richard A.

Journal:

Journal of Materials Chemistry

Year:

2010

Language:

english

File:

PDF, 342 KB

english, 2010

5

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

6

Where on Earth has our water come from?

Leeuw, Nora H. de, Catlow, C. Richard A., King, Helen E., Putnis, Andrew, Muralidharan, Krishna, Deymier, Pierre, Stimpfl, Marilena, Drake, Michael J.

Journal:

Chemical Communications

Year:

2010

Language:

english

File:

PDF, 1.19 MB

english, 2010

7

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

8

Calculated cell discharge curve for lithium batteries with a V2O5 cathode

Braithwaite, J. Spencer, Catlow, C. Richard A., Gale, Julian D., Harding, John H., Ngoepe, Phuti E.

Journal:

Journal of Materials Chemistry

Year:

2000

Language:

english

File:

PDF, 84 KB

english, 2000

9

Molecular dynamics study of tridymite

Takada, Akira, Glaser, Kathryn J., Bell, Robert G., Catlow, C. Richard A.

Journal:

Year:

2018

Language:

english

File:

PDF, 1.65 MB

english, 2018

10

Zirconium dioxide topological surfaces with low coordination sites

Xia, Xin, Oldman, Richard J., Catlow, C. Richard A.

Journal:

Journal of Materials Chemistry

Year:

2011

Language:

english

File:

PDF, 903 KB

english, 2011

11

Correlating Enantioselectivity with Activation Energies in the Asymmetric Hydrogenation of Acetophenone Catalysed by Noyori-Type Complexes

Hsin-Yi Tiffany Chen, Devis Di Tommaso, Graeme Hogarth, C. Richard A. Catlow

Journal:

Catalysis Letters

Year:

2011

Language:

english

File:

PDF, 484 KB

english, 2011

12

Crystal structure prediction from first principles

Woodley, Scott M., Catlow, Richard

Journal:

Nature Materials

Year:

2008

Language:

english

File:

PDF, 1.27 MB

english, 2008

13

Surface Segregation of Metal Ions in Cerium Dioxide

Sayle, Thi X. T., Parker, Stephen C., Catlow, C. Richard A.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 672 KB

english, 1994

14

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

15

Oxygen adsorption and dissociation on yttria stabilized zirconia surfaces

Xia, Xin, Oldman, Richard J., Catlow, C. Richard A.

Journal:

Journal of Materials Chemistry

Year:

2012

Language:

english

File:

PDF, 3.21 MB

english, 2012

16

Tailoring Gold Nanoparticle Characteristics and the Impact on Aqueous-Phase Oxidation of Glycerol

Rogers, Scott M., Catlow, C. Richard A., Chan-Thaw, Carine E., Gianolio, Diego, Gibson, Emma K., Gould, Anna L., Jian, Nan, Logsdail, Andrew J., Palmer, Richard E., Prati, Laura, Dimitratos, Nikolaos,

Journal:

Year:

2015

Language:

english

File:

PDF, 4.73 MB

english, 2015

17

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

18

Time-resolved powder neutron diffraction study of thermal reactions in clay minerals

Collins, David R., Fitch, Andrew N., Catlow, C. Richard A.

Journal:

Journal of Materials Chemistry

Year:

1991

Language:

english

File:

PDF, 1.39 MB

english, 1991

19

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

20

Electronic state and three-dimensional structure of Mn(iii) active sites in manganese-containing aluminophosphate molecular sieve catalysts for the oxyfunctionalisation of alkanesElectronic supplementary information (ESI) available: Details of the experiment and data analysis. Table S1: structural parameters obtained for calcined MnAlPO-18 from EXAFS data analysis. Fig. S1: QM derived and experimental EXAFS data. Fig. S2: FT of the refined EXAFS data. See http://www.rsc.org/suppdata/cc/b1/b110017c/

Corà, Furio, Sankar, Gopinathan, Catlow, C. Richard A., Thomas, John Meurig

Journal:

Chemical Communications

Year:

2002

Language:

english

File:

PDF, 181 KB

english, 2002

21

Nitrogen Activation in a Mars–van Krevelen Mechanism for Ammonia Synthesis on Co 3 Mo 3 N

Zeinalipour-Yazdi, Constantinos D., Hargreaves, Justin S. J., Catlow, C. Richard A.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 5.71 MB

english, 2015

22

Dissociation of O2 on the reduced SnO2 (110) surface

Slater, Ben, Catlow, C. Richard A., Williams, David E., Stoneham, A. Marshall

Journal:

Chemical Communications

Year:

2000

Language:

english

File:

PDF, 145 KB

english, 2000

23

Adsorption of formate species on Cu(h,k,l) low index surfaces

Chutia, Arunabhiram, Silverwood, Ian P., Farrow, Matthew R., Scanlon, David O., Wells, Peter P., Bowker, Michael, Parker, Stewart F., Catlow, C. Richard A.

Journal:

Surface Science

Year:

2016

Language:

english

File:

PDF, 2.65 MB

english, 2016

24

Experimental and computational study of the gas-sensor behaviour and surface chemistry of the solid-solution Cr2–xTixO3 (x ≤ 0.5)

Niemeyer, Dirk, Williams, David E., Smith, Peter, Pratt, Keith F. E., Slater, Ben, Catlow, C. Richard A., Marshall Stoneham, A.

Journal:

Journal of Materials Chemistry

Year:

2002

Language:

english

File:

PDF, 360 KB

english, 2002

25

Designing new catalysts for synthetic fuels: general discussion

Holt, Katherine, Jewell, Linda, Niemantsverdriet, Hans, Macheli, Lebohang, Shozi, Mzamo, Hutchings, Graham, Wezendonk, Tim, Bowker, Michael, Catlow, Richard, Adam, Sarah, Kooyman, Patricia J., Hensen,

Journal:

Faraday Discussions

Year:

2017

Language:

english

File:

PDF, 375 KB

english, 2017

26

Preface

Hasnain, Samar, Catlow, Richard

Journal:

Philosophical Transactions Mathematical Physical & Engineering Sciences

Year:

2019

Language:

english

File:

PDF, 459 KB

english, 2019

27

Self-consistent interatomic potentials for the simulation of binary and ternary oxides

Bush, Timothy S., Gale, Julian D., Catlow, C. Richard A., Battle, Peter D.

Journal:

Journal of Materials Chemistry

Year:

1994

Language:

english

File:

PDF, 850 KB

english, 1994

28

Photostimulated Reduction Processes in a Titania Hybrid Metal–Organic Framework

Aron Walsh, C. Richard A. Catlow

Journal:

Year:

2010

Language:

english

File:

PDF, 525 KB

english, 2010

29

The prediction of inorganic crystal structures using a genetic algorithm and energy minimisation

Woodley, Scott M., Battle, Peter D., Gale, Julian D., Richard A. Catlow, C

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 304 KB

english, 1999

30

Catalytic Reaction Mechanism of Mn-Doped Nanoporous Aluminophosphates for the Aerobic Oxidation of Hydrocarbons

Dr. Luis Gómez-Hortigüela, Dr. Furio Corà, Prof. Gopinathan Sankar, Dr. Claudio M. Zicovich-Wilson, Prof. C. Richard A. Catlow

Journal:

Chemistry - A European Journal

Year:

2010

Language:

english

File:

PDF, 788 KB

english, 2010

31

Determining the Structure of Active Sites, Transition States and Intermediates in Heterogeneously Catalyzed Reactions

John Meurig Thomas, C. Richard A. Catlow, Gopinathan Sankar

Journal:

Year:

2003

File:

PDF, 53 KB

2003

32

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

33

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

34

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

35

Atomistic mechanisms of ionic transport in fast-ion conductors

Catlow, C. Richard A.

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1990

Language:

english

File:

PDF, 1.23 MB

english, 1990

36

The Three-Dimensional Structure of the Titanium-Centered Active Site during Steady-State Catalytic Epoxidation of Alkenes

Sankar, Gopinathan, Thomas, John Meuring, Catlow, C. Richard A., Barker, Carolyn M., Gleeson, David, Kaltsoyannis, Nikolas

Journal:

Journal of Physical Chemistry B

Year:

2003

Language:

english

File:

PDF, 6 KB

english, 2003

37

The Local Structure of Tetrahedral Co(III): A Detailed Crystal Structure Investigation of K 5 Co III W 12 O 40 ·20H 2 O

Muncaster, Gavin, Sankar, Gopinathan, Catlow, C. Richard A., Thomas, John Meurig, Coles, Simon J., Hursthouse, Michael

Journal:

Chemistry of Materials

Year:

2000

Language:

english

File:

PDF, 67 KB

english, 2000

38

Computer-Simulation Study of the Orthorhombic−Hexagonal Phase Change in Lanthanide Manganates (LnMnO 3 )

Woodley, Scott M., Battle, Peter D., Gale, Julian D., Catlow, C. Richard A.

Journal:

Chemistry of Materials

Year:

2003

Language:

english

File:

PDF, 126 KB

english, 2003

39

Simulation study of copper(I) and copper(II) species in ZSM-5 zeolite

Sayle, Dean C., Perrin, Marc A., Nortier, Patrice, Catlow, C. Richard A.

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1995

Language:

english

File:

PDF, 515 KB

english, 1995

40

Evidence of surface reconstructions and incorporation of oxygen into the oxide framework on the hydroxylated La2O3{001} surfaceElectronic supplementary information (ESI) available: further calculations and simulations. See http://www.rsc.org/suppdata/cc/b2/b205528g/

Alfredsson, Maria, Catlow, C. Richard A., Paulidou, Anastasia, Nix, Roger M.

Journal:

Chemical Communications

Year:

2002

Language:

english

File:

PDF, 1.12 MB

english, 2002

41

A multi-technique approach for probing the evolution of structural properties during crystallization of organic materials from solution

Hughes, Colan E., Hamad, Said, Harris, Kenneth D. M., Catlow, C. Richard A., Griffiths, Peter C.

Journal:

Faraday Discussions

Year:

2007

Language:

english

File:

PDF, 1.18 MB

english, 2007

42

Restructuring of AuPd Nanoparticles Studied by a Combined XAFS/DRIFTS Approach

Gibson, Emma K., Beale, Andrew M., Catlow, C. Richard A., Chutia, Arunabhiram, Gianolio, Diego, Gould, Anna, Kroner, Anna, Mohammed, Khaled M. H., Perdjon, Michal, Rogers, Scott M., Wells, Peter P.

Journal:

Chemistry of Materials

Year:

2015

Language:

english

File:

PDF, 1.52 MB

english, 2015

43

Vorhersage von Geschwindigkeitskonstanten katalytischer Reaktionen mit chemischer Genauigkeit

Catlow, C. Richard A.

Journal:

Angewandte Chemie

Year:

2016

Language:

german

File:

PDF, 734 KB

german, 2016

44

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

45

Tandem Site- and Size-Controlled Pd Nanoparticles for the Directed Hydrogenation of Furfural

Rogers, Scott M., Catlow, C. Richard A., Chan-Thaw, Carine E., Chutia, Arunabhiram, Jian, Nan, Palmer, Richard E., Perdjon, Michal, Thetford, Adam, Dimitratos, Nikolaos, Villa, Alberto, Wells, Peter P

Journal:

Year:

2017

Language:

english

File:

PDF, 1001 KB

english, 2017

46

Modern Developments in Catalysis || Precious Metal Catalysts for Sustainable Energy and Environmental Remediation

Hutchings, Graham, Davidson, Matthew, Catlow, Richard, Hardacre, Christopher, Turner, Nicholas, Collier, Paul

Year:

2017

Language:

english

File:

PDF, 860 KB

english, 2017

47

Modern Developments in Catalysis || BACK MATTER

Hutchings, Graham, Davidson, Matthew, Catlow, Richard, Hardacre, Christopher, Turner, Nicholas, Collier, Paul

Year:

2017

Language:

english

File:

PDF, 160 KB

english, 2017

48

Computational investigation of CO adsorbed on Aux, Agx and (AuAg)x nanoclusters (x = 1 − 5, 147) and monometallic Au and Ag low-energy surfaces

Gould, Anna L., Catlow, C. Richard A., Logsdail, Andrew J.

Journal:

The European Physical Journal B / Condensed Matter and Complex Systems

Year:

2018

Language:

english

File:

PDF, 704 KB

english, 2018

49

Pd local structure and size correlations on the activity of Pd/ TiO2 for photocatalytic reforming of methanol

Bahruji, Hasliza, Abdullah, Norli, Rogers, Scott, Wells, Peter, Catlow, C. Richard A., Bowker, Michael

Journal:

Physical Chemistry Chemical Physics

Year:

2019

File:

PDF, 1.74 MB

2019

50

Lewis Acidity in Transition-Metal-Doped Microporous Aluminophosphates

Furio Corà, Iman Saadoune, C. Richard A. Catlow

Journal:

Angewandte Chemie International Edition

Year:

2002

Language:

english

File:

PDF, 209 KB

english, 2002

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