Publications
- Strength of coherently strained layered superlattices
P'Ng KMY Bushby AJ Dunstan DJ
Philos Mag vol. 85 (36), 4429-4444.
21-12-2005 - Structure−Property Relations of Regiosymmetrical 3,4-Dioxy-Functionalized Polythiophenes
Nielsen CB Bjørnholm T
Macromolecules, American Chemical Society (Acs) vol. 38 (25), 10379-10387.
09-11-2005 - Unprecedented, Fully Recyclable, Solid‐Supported Reagent for the Kinetic Resolution of Racemic Amines Through Enantioselective N‐Acetylation.
Arseniyadis S Subhash PV Valleix A
Cheminform, Wiley vol. 36 (45), no-no.
11-10-2005 - Towards the rational design of palladium-N-heterocyclic carbene catalysts by a combined experimental and computational approach
O'Brien CJ Kantchev EAB Chass GA Hopkinson AC Organ MG Setiadi DH
Tetrahedron vol. 61 (41), 9723-9735.
10-10-2005 - Ab initio conformational analysis of N- and C-terminally-protected valyl-alanine dipeptide model
Chun CP Connor AA
J Mol Struc-Theochem vol. 729 (3), 177-184.
30-09-2005 - Rational catalyst design and its application in sp(3)-sp(3) couplings
Hadei N Kantchev EAB O'Brien CJ Chass G Hunter HH Organ MG
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. vol. 230, U3198-U3198.
28-08-2005 - Towards a computed structure database: Modular and systematic approach to develop effective Pd-N-heterocyclic carbene catalysts for cross-coupling reactions
Chasse G Hopkinson AC O'Brien CJ Organ MG
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. vol. 230, U3238-U3238.
28-08-2005 - Phase transition studies in BIMEVOX solid electrolytes using AC impedance spectroscopy
Abrahams I Krok F Malys M
SOLID STATE IONICS. vol. 176 (25-28), 2053-2058.
15-08-2005 - Polycrystalline BIMGVOX.13 studied by impedance spectroscopy
Dygas JR Malys M Krok F Wrobel W
SOLID STATE IONICS. vol. 176 (25-28), 2085-2093.
15-08-2005 - Branching ratio deviations from statistical behavior in core photoionization.
Di Tommaso D Decleva P
J Chem Phys vol. 123 (6)
08-08-2005 - Effect of coherency strain on the deformation of InxGa1-xAs superlattices under nanoindentation and bending
Lloyd SJ P'Ng KMY Clegg WJ Bushby AJ Dunstan DJ
Philos Mag vol. 85 (22), 2469-2490.
01-08-2005 - Measurement of the size effect in the yield strength of nickel foils
Moreau P Raulic M P'ng KMY Gannaway G Anderson P Gillin WP Bushby AJ Dunstan DJ
Phil Mag Lett vol. 85 (7), 339-343.
01-07-2005 - Characterization of the conformational probability of N-acetyl-phenylalanyl-NH2 by RHF, DFT, and MP2 computation and AIM analyses, confirmed by jet-cooled infrared data.
Chass GA Mirasol RS Setiadi DH Tang T-H Chin W Dimicoli I Dognon J-P Viskolcz B
J Phys Chem A vol. 109 (24), 5289-5302.
23-06-2005 - The gas-phase dipeptide analogue acetyl-phenylalanyl-amide: a model for the study of side chain/backbone interactions in proteins.
Chin W Mons M Dognon J-P Mirasol R Chass G Dimicoli I Piuzzi F Compagnon I et al.
J Phys Chem A vol. 109 (24), 5281-5288.
23-06-2005 - Synthesis and characterisation of molecularly imprinted catalytic microgels for carbonate hydrolysis
Pasetto P Maddock SC Resmini M
ANALYTICA CHIMICA ACTA. vol. 542 (1), 66-75.
22-06-2005 - Evidence for a Nucleophilic anti‐Attack on the Cleaved C(2)‐Oxygen Bond in Cl2‐AlH‐Catalyzed Ring‐Opening of 2‐Substituted 1,3‐Dioxolanes.
Morelli CF Fornili A Sironi M Speranza G
Cheminform, Wiley vol. 36 (27), no-no.
16-06-2005 - Angle-resolved photoelectron spectroscopy of randomly oriented 3-hydroxytetrahydrofuran enantiomers.
Giardini A Catone D Stranges S Satta M Tacconi M Piccirillo S Turchini S Zema N et al.
Chemphyschem vol. 6 (6), 1164-1168.
13-06-2005 - Phase transitions in the BIZRVOX system
Wrobel W Abrahams I Krok F Chan SCM Malys M Dygas J
SOLID STATE IONICS. vol. 176 (19-22), 1731-1737.
01-06-2005 - The anion disorder in the perovskite fluoride KCaF3
Demetriou DZ Catlow CRA McIntyre GJ Abrahams I
Solid State Ionics vol. 176 (17-18), 1571-1575.
31-05-2005 - Effective elastic constants in nonlinear elasticity
Bosher SHB Dunstan DJ
J Appl Phys vol. 97 (10)
15-05-2005 - Molecular orbital computations on lipids: an ab initio exploratory study on the conformations of glycerol and its fluorine congeners
Law JMS Fejer SN Chass GA
J Mol Struc-Theochem vol. 722 (1-3), 79-96.
02-05-2005 - Fast intramolecular proton transfer in 2-(hydroxyaminomethylidene)-indan-1,3-dione
Enchev V Abrahams I Angelova S
J Mol Struc-Theochem vol. 719 (1-3), 169-175.
14-04-2005 - Tuning the Enantioselective N-Acetylation of Racemic Amines: A Spectacular Salt Effect
Arseniyadis S Subhash PV Valleix A Blackmond DG
Journal of The American Chemical Society, American Chemical Society (Acs) vol. 127 (17), 6138-6139.
08-04-2005 - Optimal virtual orbitals to relax wave functions built up with transferred extremely localized molecular orbitals
Genoni A Fornili A
Journal of Computational Chemistry, Wiley vol. 26 (8), 827-835.
06-04-2005 - First principle computational study on the full conformational space of L-proline diamides.
Sahai MA Kehoe TAK Koo JCP Setiadi DH Chass GA Viskolcz B
J Phys Chem A vol. 109 (11), 2660-2679.
24-03-2005 - Evidence for a nucleophilic anti-attack on the cleaved C(2)–oxygen bond in Cl2AlH-catalyzed ring-opening of 2-substituted 1,3-dioxolanes
Morelli CF Fornili A Durì L Speranza G
Tetrahedron Letters, Elsevier vol. 46 (11), 1837-1840.
01-03-2005 - Flexibility of polyunsaturated fatty acid chains and peptide backbones: A comparative ab initio study.
Law JMS Setiadi DH Csizmadia IG Viskolcz B
J Phys Chem A vol. 109 (3), 520-533.
27-01-2005 - Influence of molecular order on the local work function of nanographene architectures:: A Kelvin-probe force microscopy study
Palermo V Palma M Tomovic Z Watson MD Friedlein R Müllen K Samori P
Chemphyschem vol. 6 (11), 2371-2375.
01-01-2005 - Lithium intercalation in active masses of lead-acid batteries
Momchilov A Papazov G Puresheva B Abrahams I
6th International Conference on Lead Acid Batteries Labat 2005 Proceedings., 261-264.
01-01-2005 - Surface analysis of novel hydroxyapatite bioceramics containing titanium(IV) and fluoride
Silwood CJL Abrahams I Apperley DC Lockyer NP Grootveld M
J Mater Chem vol. 15 (16), 1626-1636.
01-01-2005 - Unprecedented, fully recyclable, solid-supported reagent for the kinetic resolution of racemic amines through enantioselective N -acetylation
Arseniyadis S Subhash PV Valleix A Wagner A
Chemical Communications, Royal Society of Chemistry (Rsc) (26), 3310-3312.
01-01-2005 - XAFS study of BIMEVOX ionic conductors for ME = Mg, Si, Zr, Zn
Twarog A Bacewicz R Kozanecka A Krok F Abrahams I
Phys Scripta vol. T115, 318-319.
01-01-2005