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  • Currently displaying 23401 - 23420 of 31138 publications
Author(s)
Publication title
Journal Name
Publication year
Interpreting Molecular Crystal Disorder in Plumbocene, Pb(C5H5)2:  Insight from Theory
CA Morrison, DS Wright, RA Layfield
Journal of the American Chemical Society
(2002)
124
Structure and antimicrobial activity of new bile acid-based gemini surfactants
G Ronsin, AJ Kirby, S Rittenhouse, G Woodnutt, P Camilleri
Journal of the Chemical Society, Perkin Transactions 2
(2002)
Estimating pK(a) values for pentaoxyphosphoranes
JE Davies, NL Doltsinis, AJ Kirby, CD Roussev, M Sprik
Journal of the American Chemical Society
(2002)
124
Integral representations of the Riemann zeta function for odd-integer arguments
D Cvijović, J Klinowski
Journal of Computational and Applied Mathematics
(2002)
142
Phenylthioalkylation-Desulphurisation for the C-Alkylation of Phenols
I Fleming*, J Iqbal
Synthesis
(2002)
1982
A one-compartment model to study soil carbon decomposition rate at equilibrium situation
X Yang, M Wang, Y Huang, Y Wang
Ecological Modelling
(2002)
151
Cobalt-mediated synthesis of angular [4]phenylene: Structural characterization of a metal lacyclopentadiene(alkyne) intermediate and its thermal and photochemical conversion
PI Dosa, GD Whitener, KPC Vollhardt, AD Bond, SJ Teat
Organic Letters
(2002)
4
Ab initio molecular dynamics for molecules with variable numbers of electrons.
I Tavernelli, R Vuilleumier, M Sprik
Phys Rev Lett
(2002)
88
Sequence Conservation in Ig-like Domains: The Role of Highly Conserved Proline Residues in the Fibronectin Type III Superfamily
A Steward, S Adhya, J Clarke
Journal of molecular biology
(2002)
318
Geometric quantization of curvature energy in equipotential surfaces of ionic crystals
PJF Gandy, J Klinowski
The Journal of Chemical Physics
(2002)
116
Structure, bonding, and anharmonic librational motion of CO on Ir{100}
S Titmuss, K Johnson, Q Ge, DA King
Journal of Chemical Physics
(2002)
116
Nucleation, growth, sintering, mobility, and adsorption properties of small gold particles on polycrystalline titania
ECH Sykes, FJ Williams, MS Tikhov, RM Lambert
Journal of Physical Chemistry B
(2002)
106
Interference effects in sum frequency spectra from monolayers on composite dielectric/metal substrates
AG Lambert, DJ Neivandt, AM Briggs, EW Usadi, PB Davies
The Journal of Physical Chemistry B
(2002)
106
Nitrone cyclisations: The development of a semi-quantitative model from ab initio calculations
MA Silva, JM Goodman
Tetrahedron
(2002)
58
Electrochemical Promotion by Potassium of the Selective Hydrogenation of Acetylene on Platinum: Reaction Studies and XP Spectroscopy
FJ Williams, A Palermo, S Tracey, MS Tikhov, RM Lambert
The Journal of Physical Chemistry B
(2002)
106
The interaction of the molecular chaperone alpha-crystallin with unfolding alpha-lactalbumin: A structural and kinetic spectroscopic study
JA Carver, RA Lindner, C Lyon, D Canet, H Hernandez, CM Dobson, C Redfield
J Mol Biol
(2002)
318
Isotope effects on molecular properties
AD Buckingham, W Urland
Chemical Reviews
(2002)
75
Reaction between hydroxyl (deuteroxyl) radicals and carbon monoxide at temperatures down to 80 K: experiment and theory
MJ Frost, P Sharkey, IWM Smith
The Journal of Physical Chemistry
(2002)
97
Hydrogen bonding and the structure of substituted ureas: Solid-state NMR, vibrational spectroscopy, and single-crystal X-ray diffraction studies
W Kolodziejski, I Wawer, K Wozniak, J Klinowski
Journal of Physical Chemistry
(2002)
97
Adsorption of thiocyanate on polycrystalline silver and gold electrodes studied in situ by sum-frequency spectroscopy
TH Ong, PB Davies, CD Bain
The Journal of Physical Chemistry
(2002)
97