CRS4

Publications de Kuleshova au CRS4


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Publications en 2013
Peer-reviewed publications in International Journals
[2-KHB13] [Add to your selection]
Lattice Energy Calculation - A Quick Tool for Screening of Cocrystals and Estimation of Relative Solubility. Case of Flavonoids
Liudmila Kuleshova, Detlef W.M. Hofmann, Roland Boese
Chemical Physics Letters Elsevier pages 26--32 vol. 564 num. 28.03.13 - march 2013  doi: 10.1016/j.cplett.2013.02.008
Peer-reviewed publications in international events
[4-HK13] [Add to your selection]
Solubility Prediction by Crystal Structure Prediction with Force Fields obtained by Data Mining
Detlef W.M. Hofmann, Liudmila Kuleshova
22nd Annual Conference of the German Crystallographic Society (DGK) 2014 - 2013
[4-KH13] [Add to your selection]
Lattice energy calculation - a quick tool for screening of stability and relative solubility of cocrystals.
Liudmila Kuleshova, Detlef W.M. Hofmann
21st Annual Conference of the German Crystallographic Society (DGK) - 2013
[4-KUL13] [Add to your selection]
Energy calculation – the quick tool for screening of relative stability and solubility of cocrystals
Liudmila Kuleshova
Intermolecular Interactions in Crystals - 2013
 
Publications en 2012
Books and Book Chapters
[1-HK12] [Add to your selection]
Data Mining in Crystallography
Detlef W.M. Hofmann, Liudmila Kuleshova
Springer Verlag Structure and Bonding Heidelberg vol. 134 - 2012
isbn: 978-3-642-26161-9
Peer-reviewed publications in international events
[4-HHK12] [Add to your selection]
Fast estimation of the free energy of synthons by data mining
Detlef W.M. Hofmann, Franziska Hofmann, Liudmila Kuleshova
International Symposium 'Small Molecules in Interactions' Ruhr-University Bochum - march 2012
[4-KH12] [Add to your selection]
Crystal Structure Prediction as a Tool for Crystal Engineering of Cocrystals
Liudmila Kuleshova, Detlef W.M. Hofmann
Interantaionl Symposium 'Small Molecules in Interactions' Ruhr-University Bochum - march 2012
 
Publications en 2011
Peer-reviewed publications in International Journals
[2-HKS11] [Add to your selection]
Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test
Detlef W.M. Hofmann, Liudmila Kuleshova, Harold A. Scheraga, Graeme M. Day, David A. Bradwell, Bouke P. Van Eijck, Franziska Hofmann, Marcus A. Neumann, Jacco Van De Streek, Sarah L. Price, Elisabetta Venuti, Julio C. Facelli, Yelena A. Arnautova, Stephan X. M. Boerrigter, Panagiotis G. Karamertzanis, Frank J. J. Leusen
Acta Crystallographica Section B International Union of Crystallography pages 535–551 vol. 67 - 2011
issn: 0108-7681  doi: 10.1107/S0108768111042868
[2-CDK11] [Add to your selection]
A powerful computational crystallography method to study ice polymorphism
Marco Cogoni, Bruno D'Aguanno, Liudmila Kuleshova, Detlef W.M. Hofmann
J. Chem. Phys. pages 204506 (1--10) vol. 134 - january 2011  doi: 10.1063/1.3593200
Peer-reviewed publications in international events
[4-HKH11] [Add to your selection]
Data Base driven Crystal Structure Prediction with fine-tuned Force Fields
Detlef W.M. Hofmann, Liudmila Kuleshova, Franziska Hofmann
Joint Meeting DGK, DMG, ÖMG 'Crystals, Minerals and Materials' (Salzburg, Austria 2011) Oldenbourg Verlag Annual Conference Series pages 16 DGK, DMG, ÖMG - 2011
[4-KH11] [Add to your selection]
Crystal structure prediction as tool for crystal engineering of co-crystals. The prediction of free lattice energies and its effect on thermodynamic properties, e.g. solubility
Liudmila Kuleshova, Detlef W.M. Hofmann
Joint Meeting DGK, DMG, ÖMG 'Crystals, Minerals and Materials' (Salzburg, Austria 2011) Oldenbourg Verlag Annual Conference Series pages 15 DGK, DMG, ÖMG - 2011
 
Publications en 2010
Peer-reviewed publications in International Journals
[2-HCK10] [Add to your selection]
Temperature and pressure in computational crystallography: a case study of ice [Download PDF version]
Detlef W.M. Hofmann, Marco Cogoni, Liudmila Kuleshova, Bruno D'Aguanno
Acta Crystallographica Section A pages s74--s75 vol. A66 - 2010
[2-HKD10] [Add to your selection]
Theoretical simulations of proton conductivity: basic principles of the proton conductor
Detlef W.M. Hofmann, Liudmila Kuleshova, Bruno D'Aguanno
J. Power Sources pages 7743--7750 vol. 195 - 2010
Peer-reviewed publications in international events
[4-HKC10] [Add to your selection]
Temperature and pressure in computational crystallography: a case study of ice
Detlef W.M. Hofmann, Liudmila Kuleshova, Marco Cogoni, Bruno D'Aguanno
26 th European C rystallographic Meeting International Union of Crystallography - 2010
Contractual reports
[7-HKD10] [Add to your selection]
Theoretical simulations of proton conductivity: basic priciples of the proton conductor
Detlef W.M. Hofmann, Liudmila Kuleshova, Bruno D'Aguanno
CRS4, Center for Advanced Studies, Research and Development in Sardinia Cagliari, Italy num. 10/88 techreport - august 2010
 
Publications en 2009
Books and Book Chapters
[1-HK09] [Add to your selection]
Data mining in crystallography [Download PDF version]
Detlef W.M. Hofmann, Liudmila Kuleshova
Springer Verlag, chap. Preface, pages ix--xii Structure and Bonding Heidelberg vol. 134 inbook - 2009
[1-HK09] [Add to your selection]
Data mining in crystallography
Detlef W.M. Hofmann, Liudmila Kuleshova
Springer Verlag Structure and Bonding Heidelberg vol. 134 - 2009
isbn: 978-3-642-04758-9
[1-HK09] [Add to your selection]
Data mining in crystallography
Detlef W.M. Hofmann, Liudmila Kuleshova
Springer Verlag Structure and Bonding Heidelberg vol. 134 - 2009
isbn: 978-3-642-04759-6
[1-DHK09] [Add to your selection]
Encyclopedia of electrochemical power sources
Bruno D'Aguanno, Detlef W.M. Hofmann, Liudmila Kuleshova, Lorenzo Pisani
Elsevier, chap. Basics: Modeling of Membranes, pages vol. 1-5 inbook - 2009
Peer-reviewed publications in International Journals
[2-HKD09] [Add to your selection]
Investigation of water structure in nafion membranes by infrared spectroscopy and molecular dynamics simulation
Detlef W.M. Hofmann, Liudmila Kuleshova, Bruno D'Aguanno, Vito Di Noto, Enrico Negro, Fosca Conti, Michele Vittadello
Journal of Physical Chemistry B pages 632--639 vol. 113 num. 3 - 2009

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