Publications
- A quantitative scale for the extent of conjugation of the amide bond. Amidity percentage as a chemical driving force.
Mucsi Z Tsai A Szori M Chass GA
J Phys Chem A vol. 111 (50), 13245-13254.
20-12-2007 - Quantum molecular dynamics study of the pressure dependence of the ammonia inversion transition
Herbauts IM Dunstan DJ
Phys Rev A vol. 76 (6)
01-12-2007 - Correlation between microstructure and charge transport in poly(2,5-dimethoxy-p-phenylenevinylene) thin films
Sims M Tuladhar SM Nelson J Maher RC Campoy-Quiles M Choulis SA Mairy M Bradley DDC et al.
Physical Review B, American Physical Society (Aps) vol. 76 (19)
15-11-2007 - Effects of ageing on defect structure in the Bi3NbO7-Bi3YO6 system
Abrahams I Krok F Kozanecka-Szmigiel A Wrobel W Chan SCM
JOURNAL OF POWER SOURCES. vol. 173 (2), 788-794.
15-11-2007 - Removing extra frontier parameters in QM/MM methods : a tentative with the Local Self-Consistent Field approach
Loos P-F Fornili A Assfeld X
Computing Letters, Brill Academic Publishers vol. 3 (2), 473-486.
01-11-2007 - 2-amino-1-propanol versus 1-amino-2-propanol: valence band and C 1s core-level photoelectron spectra.
Catone D Contini G Zema N Irrera S Prosperi T Decleva P
J Chem Phys vol. 127 (14)
14-10-2007 - Direct syntheses of mixed ion and electronic conductors La4Ni3O10 and La3Ni2O7 from nanosized coprecipitates
Weng XL Boldrin P Skinner SJ Darr JA
Chem Mater vol. 19 (18), 4382-4384.
04-09-2007 - Solvation pressure in ethanol by molecular dynamics simulations
Berryman PJ Faux DA Dunstan DJ
Phys Rev B vol. 76 (10)
01-09-2007 - Cross‐Metathesis Between α‐Methylene‐γ‐butyrolactone and Olefins: A Dramatic Additive Effect.
Moise J Arseniyadis S Cossy J
Cheminform, Wiley vol. 38 (36), no-no.
15-08-2007 - A Concise Total Synthesis of Melithiazole C †
Gebauer J Arseniyadis S
Organic Letters, American Chemical Society (Acs) vol. 9 (17), 3425-3427.
18-07-2007 - Synthesis and photophysical properties of some rigidized hepta- and nonamethine mono- and bis(merocyanines): Ring-opening of quaternized 2-methylbenzothiazole
Viteva L Gospodova T Rashkova J Abrahams I Timtcheva I Simova S
Eur J Org Chem (19), 3102-3114.
01-07-2007 - New insights into the enantioselectivity in the hydrogenation of prochiral ketones.
French SA Di Tommaso D Zanotti-Gerosa A
Chem Commun (Camb) (23), 2381-2383.
21-06-2007 - The Chemistry and Biology of Epothilones — The Wheel Keeps Turning
Altmann K Pfeiffer B Arseniyadis S Pratt BA
Cheminform, Wiley vol. 38 (28), no-no.
20-06-2007 - Accurate Description of Nitrogenous Base Flexibility in Classical Molecular Dynamics Simulations of Nucleotides Bound to Proteins
Fornili A Sironi M
The Journal of Physical Chemistry B, American Chemical Society (Acs) vol. 111 (23), 6297-6302.
18-05-2007 - Energy functions for rubber from microscopic potentials
Johal AS Dunstan DJ
Journal of Applied Physics vol. 101 (8)
15-04-2007 - Synthesis of Vinyl‐Functionalized Thiazoles by Cross‐Metathesis and Tandem Stille Coupling/Cross‐Metathesis.
Dash J Arseniyadis S
Cheminform, Wiley vol. 38 (18), no-no.
11-04-2007 - The Chemistry and Biology of Epothilones—The Wheel Keeps Turning
Altmann K Pfeiffer B Arseniyadis S Nicolaou KC
Chemmedchem, Wiley vol. 2 (4), 396-423.
04-04-2007 - Cross-Metathesis between α-Methylene-γ-butyrolactone and Olefins: A Dramatic Additive Effect
Moïse J Arseniyadis S Cossy J
Organic Letters, American Chemical Society (Acs) vol. 9 (9), 1695-1698.
01-04-2007 - The H2-hydrogenation of ketones catalysed by ruthenium(II) complexes. A density functional theory study
DI TOMMASO D Catlow CRA
Journal of Molecular Structure: Theochem vol. 812, 39-49.
27-02-2007 - Anomalous dispersion neutron diffraction and its potential role in the elucidation of structure in glasses
Abrahams I
J Phys-Condens Mat vol. 19 (5)
07-02-2007 - Evidence that the mechanism of antibody-catalysed hydrolysis of arylcarbamates can be determined by the structure of the immunogen used to elicit the catalytic antibody.
Boucher G Said B Ostler EL Resmini M Brocklehurst K Gallacher G
Biochem J vol. 401 (3), 721-726.
01-02-2007 - Synthesis of Vinyl‐Functionalized Thiazoles by Cross‐Metathesis and Tandem Stille Coupling/Cross‐Metathesis
Dash J Arseniyadis S
Advanced Synthesis & Catalysis, Wiley vol. 349 (1‐2), 152-156.
08-01-2007 - Exploring nanoscale electrical and electronic properties of organic and polymeric functional materials by atomic force microscopy based approaches
Palermo V Liscio A Palma M Surin M Lazzaroni R Samori P
Chemical Communications (32), 3326-3337.
01-01-2007 - Mapping of the Initial Volume at the Onset of Plasticity in Nanoindentation
Zhu TT P’ng KMY Hopkinson M Bushby AJ Dunstan DJ
Mrs Online Proceedings Library, Springer Nature vol. 1049 (1)
01-01-2007 - Raman spectroscopy of single-walled carbon nanotubes at high pressure: Effect of interactions between the nanotubes and pressure transmitting media
Proctor JE Halsall MP Ghandour A Dunstan DJ
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS. vol. 244 (1), 147-150.
01-01-2007 - Strength of strained quantum wells and other small scale structures
Dunstan DJ P'ng KMY Zhu TT Hou XD Walker CJ Bushby AJ
Physica Status Solidi B-Basic Solid State Physics vol. 244 (1), 93-99.
01-01-2007