Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Asmadi, Aldi"'
A crystal structure prediction (CSP) study of three small, rigid and structurally related organic compounds (differing only in the position and number of methyl groups) is presented. A tailor-made force field (TMFF; a non-transferable force field spe
Externí odkaz:
http://hdl.handle.net/10454/4626
In the 2007 blind test of crystal structure prediction hosted by the Cambridge Crystallographic Data Centre (CCDC), a hybrid DFT/MM method correctly ranked each of the four experimental structures as having the lowest lattice energy of all the crysta
Externí odkaz:
http://hdl.handle.net/10454/4727
Autor:
Asmadi, Aldi
The knowledge of the packing behaviour of small organic compounds in crystal lattices is of great importance for industries dealing with solid state materials. The properties of materials depend on how the molecules arrange themselves in a crystallin
Externí odkaz:
http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.553990
Publikováno v:
In Journal of Molecular Liquids December 2013 188:245-251
Publikováno v:
In Journal of Molecular Liquids April 2013 180:65-69
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Autor:
Asmadi A; Institute of Pharmaceutical Innovation, University of Bradford, Richmond Road, Bradford, BD7 1DP, UK., Kendrick J, Leusen FJ
Publikováno v:
Chemistry (Weinheim an der Bergstrasse, Germany) [Chemistry] 2010 Nov 08; Vol. 16 (42), pp. 12701-9.
Autor:
Asmadi A; Institute of Pharmaceutical Innovation, University of Bradford, Bradford, West Yorkshire, BD7 1DP, United Kingdom., Neumann MA, Kendrick J, Girard P, Perrin MA, Leusen FJ
Publikováno v:
The journal of physical chemistry. B [J Phys Chem B] 2009 Dec 24; Vol. 113 (51), pp. 16303-13.