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  • Currently displaying 28901 - 28920 of 30972 publications
Author(s)
Publication title
Journal Name
Publication year
The accurate calculation of molecular properties by ab initio methods
RD Amos, JF Gaw, NC Handy, S Carter
J CHEM SOC FARAD T 2
(1988)
84
LONGITUDINAL NMR RELAXATION OF AL-27 IN ZEOLITES IS GOVERNED BY QUADRUPOLE INTERACTIONS WITH ADSORBED POLAR-MOLECULES AND EXCHANGEABLE CATIONS
J Haase, H Pfeifer, W Oehme, J Klinowski
Chemical Communications
(1988)
Molecular model for aqueous ferrous–ferric electron transfer
RA Kuharski, JS Bader, D Chandler, M Sprik, ML Klein, RW Impey
The 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
Mo/ller–Plesset third order calculations with large basis sets
IL Alberts, NC Handy
The Journal of Chemical Physics
(1988)
89
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
A cellular ligand-field model for ‘l-l’ spectral intensities
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
Optimization of a distributed Gaussian basis set using simulated annealing: Application to the adiabatic dynamics of the solvated electron
M Sprik, ML Klein
The Journal of Chemical Physics
(1988)
89
Recent Advances in Solid-State NMR of Zeolites
J Klinowski
Annual Review of Materials Science
(1988)
18
Hydration of tricalcium silicate with D2O
TC King, CM Dobson, SA Rodger
Journal of Materials Science
(1988)
7
New directions in gas scattering
DA King
Nature
(1988)
334
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-US
(1988)
27
Infrared diode laser spectra of MgH and MgD (X2σ +)
B Lemoine, C Demuynck, JL Destombes, PB Davies
The Journal of Chemical Physics
(1988)
89
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
Structure of (–)-quinic acid
C Abell, FH Allen, TDH Bugg, MJ Doyle, PR Raithby
Acta Crystallographica Section C: Structural Chemistry
(1988)
44
Structure of sodium (–)-shikimate dihydrate
C Abell, FH Allen, TDH Bugg, MJ Doyle, PR Raithby
Acta Crystallographica Section C Crystal Structure Communications
(1988)
44
Structure of (–)‐3‐dehydroshikimic acid monohydrate
C Abell, FH Allen, TDH Bugg, MJ Doyle, PR Raithby
Acta Crystallographica Section C Crystal Structure Communications
(1988)
44