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  • Currently displaying 28621 - 28640 of 30704 publications
Author(s)
Publication title
Journal Name
Publication year
Structure and properties of rare earth overlayers and ultra-thin alloy films on single crystal copper: Nd on Cu(111)
RM Nix, RW Judd, RM Lambert
Surface Science
(1988)
203
A VARIATIONAL METHOD FOR THE DETERMINATION OF THE VIBRATIONAL (J=0) ENERGY-LEVELS OF ACETYLENE, USING A HAMILTONIAN IN INTERNAL COORDINATES
S Carter, NC Handy
Computer Physics Communications
(1988)
51
Ab initio quantum chemistry on microcomputers
SM Colwell, NC Handy
Journal of Molecular Structure: THEOCHEM
(1988)
47
The accurate calculation of molecular properties by ab initio methods
RD Amos, JF Gaw, NC Handy, S Carter
Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics
(1988)
84
Longitudinal n.m.r. relaxation of aluminium-27 in zeolites is governed by quadrupole interactions with adsorbed polar molecules and exchangeable cations
J Haase, H Pfeifer, W Oehme, J Klinowski
Journal of the Chemical Society Chemical Communications
(1988)
Molecular model for aqueous ferrous–ferric electron transfer
RA Kuharski, JS Bader, D Chandler, M Sprik, ML Klein, RW Impey
Journal of Chemical Physics
(1988)
89
Determination of an adlayer bonding transition by surface extended X-ray-absorption fine-structure spectroscopy: Cesium adsorbed on Ag {111}
GM Lamble, RS Brooks, DA King, D Norman
Physical review letters
(1988)
61
Solid-state NMR studies of the geometry of brønsted acid sites in zeolitic catalysts
D Freude, J Klinowski, H Hamdan
Chemical Physics Letters
(1988)
149
Experimental evidence for an inorganic molecular glass.
DJ Verrall, SR Elliott
Physical Review Letters
(1988)
61
High selectivity catalysts for the oxidative coupling of methane. Complex oxides with the rock salt structure
RK Ungar, X Zhang, RM Lambert
Applied Catalysis
(1988)
42
MOLLER-PLESSET 3RD ORDER CALCULATIONS WITH LARGE BASIS-SETS
IL Alberts, NC Handy
The Journal of Chemical Physics
(1988)
89
A CELLULAR LIGAND-FIELD MODEL FOR L-L SPECTRAL INTENSITIES .2. APPLICATIONS WITHIN THE D-BLOCK
CA Brown, MJ Duer, M Gerloch, RF McMeeking
Molecular Physics
(1988)
64
A cellular ligand-field model for ‘l-l’ spectral intensities
CA Brown, MJ Duer, M Gerloch, RF McMeeking
Molecular Physics
(1988)
64
Recent Advances in Solid-State NMR of Zeolites
J Klinowski
Annual Review of Materials Research
(1988)
18
New directions in gas scattering
DA King
Nature
(1988)
334
Optimization of a distributed Gaussian basis set using simulated annealing: Application to the adiabatic dynamics of the solvated electron
M Sprik, ML Klein
Journal of Chemical Physics
(1988)
89
Hydration of tricalcium silicate with D2O
TC King, CM Dobson, SA Rodger
Journal of Materials Science
(1988)
7
TYROSYL-TRANSFER RNA-SYNTHETASE ACTS AS AN ASYMMETRIC DIMER IN CHARGING TRANSFER-RNA - A RATIONALE FOR HALF-OF-THE-SITES ACTIVITY
WHJ WARD, AR FERSHT
BIOCHEMISTRY
(1988)
27
The anharmonic potential function of methylene fluoride. SCF a b i n i t i o computations of the cubic force field and analysis of vibration–rotation interaction constants
JF Gaw, NC Handy, P Palmieri, AD Esposti
The Journal of Chemical Physics
(1988)
89
Infrared diode laser spectra of MgH and MgD ( X 2Σ+)
B Lemoine, C Demuynck, JL Destombes, PB Davies
Journal of Chemical Physics
(1988)
89