Design and understanding of solid-state and crystalline materials
Contents list for CrystEngComm, issue 4, 2008
Front cover
CrystEngComm, 2008, 10, 357
DOI: 10.1039/b804144j
Inside front cover
CrystEngComm, 2008, 10, 358
DOI: 10.1039/b804145h
Contents and Chemical Technology
CrystEngComm, 2008, 10, 359
DOI: 10.1039/b804146f
Editorial
Computational contributions to crystal engineering
Angelo Gavezzotti,
CrystEngComm, 2008, 10, 367
DOI: 10.1039/b802431f
Papers
Analysis of the compression of molecular crystal structures using Hirshfeld surfaces
Peter A. Wood, Joshua J. McKinnon, Simon Parsons, Elna Pidcock and Mark A. Spackman,
CrystEngComm, 2008, 10, 368
DOI: 10.1039/b715494a
Electrostatic potentials mapped on Hirshfeld surfaces provide direct insight into intermolecular interactions in crystals
Mark A. Spackman, Joshua J. McKinnon and Dylan Jayatilaka,
CrystEngComm, 2008, 10, 377
DOI: 10.1039/b715227b
Structure and energy in organic crystals with two molecules in the asymmetric unit: causality or chance?
Angelo Gavezzotti,
CrystEngComm, 2008, 10, 389
DOI: 10.1039/b714349d
Discovery of three polymorphs of 7-fluoroisatin reveals challenges in using computational crystal structure prediction as a complement to experimental screening
Sharmarke Mohamed, Sarah A. Barnett, Derek A. Tocher, Sarah L. Price, Kenneth Shankland and Charlotte K. Leech,
CrystEngComm, 2008, 10, 399
DOI: 10.1039/b714566g
B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals
Bartolomeo Civalleri, Claudio M. Zicovich-Wilson, Loredana Valenzano and Piero Ugliengo,
CrystEngComm, 2008, 10, 405
DOI: 10.1039/b715018k
Automated derivation of structural class symbols and extended Z
descriptors for molecular crystal structures in the Cambridge Structural Database
Andrew D. Bond,
CrystEngComm, 2008, 10, 411
DOI: 10.1039/b800642c
A multi-technique approach to predicting the molecular structure of cuprizone in the gas phase and in the crystalline state
Maurizio Muniz-Miranda, Marco Pagliai, Gianni Cardini, Luigi Messori, Bruno Bruni, Angela Casini, Massimo Di Vaira and Vincenzo Schettino,
CrystEngComm, 2008, 10, 416
DOI: 10.1039/b715131d
On the hydrogen bond nature of the C–H
F interactions in molecular crystals. An exhaustive investigation combining a crystallographic database search and ab initio theoretical calculations
Emiliana D'Oria and Juan J. Novoa,
CrystEngComm, 2008, 10, 423
DOI: 10.1039/b717276c
An optimized force field for crystalline phases of resorcinol
Jittima Chatchawalsaisin, John Kendrick, Sigrid C. Tuble and Jamshed Anwar,
CrystEngComm, 2008, 10, 437
DOI: 10.1039/b716868n
Back matter
CrystEngComm, 2008, 10, 446
DOI: 10.1039/b804147b
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