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  • Currently displaying 26641 - 26660 of 29877 publications
Author(s)
Publication title
Journal Name
Publication year
Structures and vibrational frequencies of FOOF and FONO using density functional theory
RD Amos, CW Murray, NC Handy
Chemical Physics Letters
(1993)
202
A mean-field study of the temperature dependence of the layer magnetizations in a semi-infinite ising model
M Vendruscolo, A Fasolino, M Rovere
Il Nuovo Cimento D
(1993)
15
A Refined Quartic Forcefield for Acetylene: Accurate Calculation of the Vibrational Spectrum
MJ Bramley, S Carter, NC Handy, IM Mills
Journal of Molecular Spectroscopy
(1993)
157
Principles of protein stability derived from protein engineering experiments
AR Fersht, L Serrano
Current Opinion in Structural Biology
(1993)
3
Adiabatic potentials for weak-bond/dangling-bond conversion model in a-Si:H
SN Taraskin, SV Ivliev, MI Klinger
Journal of Non-Crystalline Solids
(1993)
152
Sum frequency spectra in the C-H stretch region of adsorbates on iron
CR Maechling, DAV Kliner, D Klenerman
Applied Spectroscopy
(1993)
47
A tensor LEED structural study of the coverage-dependent bonding of iodine adsorbed on Rh{111}
CJ Barnes, A Wander, DA King
Surface Science
(1993)
281
Surface and bulk properties of metals modelled with Sutton-Chen potentials
BD Todd, RM Lynden-Bell
Surface Science
(1993)
281
Structural transitions in ultra-thin nickel films on Rh{111}
A Wander, CJ Barnes, LD Mapledoram, DA King
Surface Science
(1993)
281
A new 92 K high-Tc superconductor
RS Liu, SF Hu, DA Jefferson, PP Edwards, PD Hunneyball
Physica C: Superconductivity and its Applications
(1993)
205
Origins of π-face selectivity in the aldol reactions of chiral E-enol borinates: a computational study using transition state modelling.
A Vulpetti, A Bernardi, C Gennari, JM Goodman, I Paterson
Tetrahedron
(1993)
49
EFFICIENT CALCULATION OF ROVIBRATIONAL EIGENSTATES OF SEQUENTIALLY BONDED 4-ATOM MOLECULES
MJ Bramley, NC Handy
The Journal of Chemical Physics
(1993)
98
Ambiguities in adsorbate site assignment from vibrational frequencies. A TLEED structural study of (2 X 1)COPd(110)
A Wander, P Hu, DA King
Chemical Physics Letters
(1993)
201
Low-spin open-shell perturbation theory
JS Andrews, CW Murray, NC Handy
Chemical Physics Letters
(1993)
201
A thiouracil-Ca2+ complex containing two tautomeric forms of the thiouracilyl anion: Synthesis and crystal structure of [(thiouracilyl)2Ca·2DMSO·H2O]2
FA Banbury, MG Davidson, AJ Edwards, M-IL Solera, PR Raithby, R Snaith, D Stalke, DS Wright
Inorganica Chimica Acta
(1993)
203
Pulse design in the frequency domainx
E Kupce, R Freeman
Journal of Magnetic Resonance
(1993)
103
Nanoparticle generation by electron beam induced atomization of binary metal azides
PJ Herley, W Jones
Nanostructured Materials
(1993)
2
Electron microscopic study of fine particles of beryllium
PJ Herley, W Jones
Journal of Materials Science
(1993)
28
Advanced Monte Carlo Techniques
D Frenkel
(1993)
Cyclotrimerisation of Acetylene to Benzene Over Single Crystal Palladium and Gold/Palladium Surfaces and Over Supported Palladium Catalysts
CJ Baddeley, RM Ormerod, RM Lambert
Studies in Surface Science and Catalysis
(1993)
75