CRS4

Publications de Hofmann au CRS4


Modifier la recherche Format imprimable Votre sélection


Afficher toute la liste (75 publications) Download the selection
1   2   3 .. 4

Publications en 2016
Peer-reviewed publications in International Journals
[2-RCA16] [Add to your selection]
Report on the Sixth Blind Test of Organic Crystal-Structure Prediction Methods
Anthony M. Reilly, Richard I. Cooper, Claire S. Adjiman, Detlef W.M. Hofmann, Liudmila Kuleshova, ...
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials International Union of Crystallography pages 439--459 vol. 72 num. 4 - 2016  doi: 10.1107/S2052520616007447
[2-VHM16] [Add to your selection]
Crystal Structures of 2-Chloropyridine and 2-Fluoropyridine: Isostructural crystal packing or not?
Vera Vasylyeva, Detlef W.M. Hofmann, Klaus Merz
Structural Chemistry Springer pages 331-339 vol. 27 num. 1 - february 2016
issn: 1040-0400  doi: 10.1007/s11224-015-0603-y
Peer-reviewed publications in international events
[4-HOF16] [Add to your selection]
Prediction of Metal Coordination by Data Mining of experimental Crystal Structures [Download PDF version]
Detlef W.M. Hofmann
24th Annual Meeting of the German Crystallographic Society (DGK) German Crystallographic Society - march 2016
 
Publications en 2015
Peer-reviewed publications in International Journals
[2- JK15] [Add to your selection]
Cocrystals of Pentoxifylline: in silico and experimental screening
Dmitrijs Stepanovs, Mara Jure, Liudmila Kuleshova, Detlef W.M. Hofmann, Anatolij Mishnev
Crystal Growth & Design American Chemical Society pages 3652--3660 vol. 15 num. 8 - june 2015  doi: 10.1021/acs.cgd.5b00185
Peer-reviewed publications in international events
[4-HOF15] [Add to your selection]
Extension of empirical force fields to extreme conditions
Detlef W.M. Hofmann
23rd Annual Conference of the German Crystallographic Society (DGK) Arbeitsgemeinschaft Theoretische Chemie (AGTC) - 2015
[4-KH15] [Add to your selection]
Driving forces of co-crystallization – “in silico” vs experimental screening
Liudmila Kuleshova, Detlef W.M. Hofmann
23rd Annual Conference of the German Crystallographic Society (DGK) - 2015
[4-HOF15] [Add to your selection]
Data Mining in Chemistry exemplified for Deuterated Compounds
Detlef W.M. Hofmann
Theobio2015, 7th International Theoretical Biophysics Symposium, Cagliari, June 8-12 - 2015
[4-KH15] [Add to your selection]
Driving forces of co-crystallization: “in silico” vs experimental screening
Liudmila Kuleshova, Detlef W.M. Hofmann
Theobio2015, 7th International Theoretical Biophysics Symposium, Cagliari, June 8-12 - 2015
[4-HKB15] [Add to your selection]
6th Blind Test of Crystal Structure Prediction
Detlef W.M. Hofmann, Liudmila Kuleshova, Adrian D. Boese
Crystallographic Data Centre of Cambridge - november 2015
 
Publications en 2014
Peer-reviewed publications in International Journals
[2-HK14] [Add to your selection]
Are crystal phase diagrams predictable with Force Field? Case of Benzene polymorphs
Detlef W.M. Hofmann, Liudmila Kuleshova
Crystal Growth and Design pubs.ACS pages 3929--3934 vol. 14 num. 4 - july 2014  doi: 10.1021/cg500511p
Peer-reviewed publications in international events
[4-HOF14] [Add to your selection]
Extension of Crystal Structure Prediction to Hydrates, Organometallic and Inorganic Compounds.
Detlef W.M. Hofmann
23rd Annual Conference of the German Crystallographic Society (DGK) - 2014
Various talks, works and publications
[6-VHP14] [Add to your selection]
Method for determining values of molecular properties
Maria Valentini, Detlef W.M. Hofmann, Enrico Pieroni
International Patent Deposit - WO2014/033670 A2, 6 March 2014 - - march 2014
 
Publications en 2013
Books and Book Chapters
[1-HKF13] [Add to your selection]
INTERMOLECULAR INTERACTIONS IN CRYSTALS: VIA EXPERIMENT AND THEORY TO INDUSTRIAL APPLICATION. INTERNATIONAL CONFERENCE [Download PDF version]
Detlef W.M. Hofmann, Liudmila Kuleshova, Emanuela Falqui
Building 1, Science and Technology Park Polaris - Piscina Manna, 09010 Pula (CA) - ITALY - april 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-HOF13] [Add to your selection]
Solubility and Crystal Structure Prediction
Detlef W.M. Hofmann
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 Journals
[2-KVH12] [Add to your selection]
Solvents and Isotopic effects on Acridine and deuterated Acridine Polymorphism
Anna Kupka, Vera Vasylyeva, Detlef W.M. Hofmann, Klaus Merz
Crystal Growth & Design American Chemical Society - november 2012
issn: 1528-7483, 1528-7505  doi: 10.1021/cg300959w
Peer-reviewed publications in international events
[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

Afficher toute la liste (75 publications) Download the selection
1   2   3 .. 4