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  • Currently displaying 25081 - 25100 of 29855 publications
Author(s)
Publication title
Journal Name
Publication year
Electrical-conductivity calculation in ab initio simulations of metals: Application to liquid sodium
PL Silvestrelli, A Alavi, M Parrinello
Physical Review B
(1997)
55
Studies in macrolide synthesis: Stereocontrolled synthesis of a C-1-C-13 segment of concanamycin A.
I Paterson, MD McLeod
Tetrahedron Letters
(1997)
38
Demixing in hard ellipsoid rod-plate mixtures
PJ Camp, MP Allen, PG Bolhuis, D Frenkel
The Journal of Chemical Physics
(1997)
106
How to calculate the true vibrational density of states from inelastic neutron scattering
SN Taraskin, SR Elliott
Physica B: Condensed Matter
(1997)
234
Local fluctuations in a fluidized granular medium
K Helal, T Biben, JP Hansen
Physica A Statistical Mechanics and its Applications
(1997)
240
Five years of NO2 vertical column measurements at Faraday (65°S): Evidence for the hydrolysis of BrONO2 on Pinatubo aerosols
JR Slusser, DJ Fish, EK Strong, RL Jones, HK Roscoe, A Sarkissian
Journal of Geophysical Research: Atmospheres
(1997)
102
Spectroscopic study of complex formation between alkali metal ions and chromogenic calixarene derivatives
M Kubinyi, I Mohammed-Ziegler, A Grofcsik, I Bitter, WJ Jones
Journal of Molecular Structure
(1997)
408-409
Inverse Raman study of liquid crystals
A Grofcsik, M Kubinyi, WJ Jones, R Allott, J Baran
Journal of Molecular Structure
(1997)
408-409
Dynamics of hydrogen dissociation on Pt{100}: Steering, screening and thermal roughening effects
AT Pasteur, SJ Dixon-Warren, Q Ge, DA King
The Journal of Chemical Physics
(1997)
106
Laser spectroscopic study of photoinduced picosecond processes in amorphous and polycrystalline silicon films
M Kubinyi, A Grofcsik, WJ Jones
Journal of Molecular Structure
(1997)
408
Constrained minimizations for the calculation of Kohn-Sham and natural orbitals
BDJ TOZER, NC HANDY, P PALMIERI
Molecular Physics
(1997)
91
Nuclear quadrupole coupling constants in alkali halide molecules: An ab initio quantum chemical study
GB BACSKAY, AD BUCKINGHAM
Molecular Physics
(1997)
91
Efficiency of proton transfer catalysis. Intramolecular general acid catalysis of the hydrolysis of dialkyl acetals of benzaldehyde
CJ Brown, AJ Kirby
J CHEM SOC PERK T 2
(1997)
Rapid conformation searching .2. Similar compounds
JM Goodman, AG Leach
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
(1997)
NH-acidities of some sterically hindered ureas
IG Pojarlieff, IB Blagoeva, BP Mikhova, E Atay, AJ Kirby
Journal of Chemical Research
(1997)
Rapid conformation searching. Part 1. Diastereomeric compounds
JM Goodman, AB Saz
Journal of the Chemical Society Perkin Transactions 2
(1997)
Stopped-flow photo-CIDNP observation of protein folding
PJ Hore, SL Winder, CH Roberts, CM Dobson
Journal of the American Chemical Society
(1997)
119
Structural characterisation and comparison of the native and A-states of equine lysozyme.
LA Morozova-Roche, CC Arico-Muendel, DT Haynie, VI Emelyanenko, H Van Dael, CM Dobson
Journal of molecular biology
(1997)
268
In situ probing of the near-surface properties of heterogeneous catalysts under reaction conditions: An introduction to total electron-yield XAS
SLM Schroeder, GD Moggridge, T Rayment, RM Lambert
Journal of Molecular Catalysis A Chemical
(1997)
119
Pressure-induced delocalization of negative-U centres in semiconducting glasses
MI Klinger, SN Taraskin
Physics Letters A
(1997)
229