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  • Currently displaying 28061 - 28080 of 31828 publications
Author(s)
Publication title
Journal Name
Publication year
Implementation of Analytic Derivative Density Functional Theory codes on scalar and parallel architectures
DJ Tozer, ME Mura, RD Amos, NC Handy
E.C.C.C. 1 COMPUTATIONAL CHEMISTRY
(1995)
330
NMR studies of hydrofluorocarbon-zeolite interactions
CP Grey, DR Corbin
Studies in Surface Science and Catalysis
(1995)
98
Folding and binding
CM Dobson
Current Opinion in Structural Biology
(1995)
5
Photoinduced effects and metastability in amorphous semiconductors and insulators
K Shimakawa, A Kolobov, SR Elliott
Advances in Physics
(1995)
44
4TH LIBLICE-CONFERENCE ON THE STATISTICAL-MECHANICS OF LIQUIDS - JUNE 6-10, 1994, LAKE MILOVY, CZECH-REPUBLIC
P Cummings, D Frenkel, KE Gubbins, I Nezbeda, WR Smith
Molecular Simulation
(1995)
15
The rational design and systematic analysis of asymmetric aldol reactions using enol borinates: Applications of transition state computer modelling
A Bernardi, C Gennari, JM Goodman, I Paterson
Tetrahedron Asymmetry
(1995)
6
Closed-Form Summation of Some Trigonometric Series
D Cvijovic, J Klinowski
Mathematics of Computation
(1995)
64
REACTION-PATH ZERO-POINT ENERGY FROM DIFFUSION MONTE- CARLO CALCULATIONS
JK Gregory, DJ Wales, DC Clary
J. Chem. Phys.
(1995)
102
Dispiroketals in synthesis (part 19)1: Dispiroketals as enantioselective and regioselective protective agents for symmetric cyclic and acyclic polyols.
R Downham, PJ Edwards, DA Entwistle, AB Hughes, KS Kim, SV Ley
Tetrahedron Asymmetry
(1995)
6
Bridged thiazolium salts as models for thiamin: NMR, crystallographic and molecular mechanics studies
FJ Leeper, DHC Smith, MJ Doyle, PR Raithby
Journal of the Chemical Society, Perkin Transactions 2
(1995)
14N population transfers in two-dimensional 13C-14N-1H triple-resonance magic-angle spinning nuclear magnetic resonance spectroscopy.
CP Grey, AP Eijkelenboom, WS Veeman
Solid State Nucl Magn Reson
(1995)
4
Cuboidal basis functions
ME Mura, NC Handy
Theoretical Chemistry Accounts
(1995)
90
“Protein Structures in Solution Viewed by NMR”, in Making the Most of Your Model
LJ Smith, CM Dobson
(1995)
Infrared laser and microwave spectroscopy of electric discharges
PB Davies
Chemical Society Reviews
(1995)
24
Far-infrared laser magnetic resonance spectroscopy of vibrationally excited CF radicals
YY Liu, ZA Liu, PB Davies
Journal of Molecular Spectroscopy
(1995)
171
Band-Selective Correlation Spectroscopy
E Kupce, R Freeman
Journal of Magnetic Resonance
(1995)
112
Characterisation of al-pillared acid activated clay catalysts
J Bovey, W Jones
Journal of Materials Chemistry
(1995)
5
Computer simulation of colloid-polymer mixtures
EJ Meijer, D Frenkel
Physica A Statistical Mechanics and its Applications
(1995)
213
General discussion
M Jordan, G Schatz, J Troe, K Luther, G Lendvay, A Sanov, CR Bieler, C Capellos, H Reisler, CB Moore, IWM Smith, GW Flynn, WH Miller, I Oref, GG BalintKurti, KS Bradley, DC Clary, MS Child, JNL Connor, JT Hynes, R Schinke, S Stolte, DS Perry, M Quack, NJB Green, JP Simons, N Halberstadt, D Schwarzer, R Grice
FARADAY DISCUSS
(1995)
102
A study of the mixed-alkali effect in disilicate glasses using 7Li nuclear magnetic resonance
AT-W Yap, SR Elliott
Journal of Non-Crystalline Solids
(1995)
193