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  • Currently displaying 25821 - 25840 of 30563 publications
Author(s)
Publication title
Journal Name
Publication year
Constrained minimizations for the calculation of Kohn-Sham and natural orbitals
BDJ TOZER, NC HANDY, P PALMIERI
Molecular Physics
(1997)
91
Properties of fluorophores on solid phase resins; implications for screening, encoding and reaction monitoring
RH Scott, S Balasubramanian
Bioorganic & Medicinal Chemistry Letters
(1997)
7
Studies towards the synthesis of the zaragozic acids: Synthesis of the bicyclic acetal core of zaragozic acid C
I Paterson, K Fessner, MRV Finlay
Tetrahedron Letters
(1997)
38
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)
234-236
Inverse Raman study of liquid crystals
A Grofcsik, M Kubinyi, WJ Jones, R Allott, J Baran
Journal of Molecular Structure
(1997)
408-409
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
Local fluctuations in a fluidized granular medium
K Helal, T Biben, JP Hansen
Physica A: Statistical Mechanics and its Applications
(1997)
240
Photoinduced surface deposition of metallic silver in AgAsS glasses: effect of addition of other elements
T Kawaguchi, S Maruno, SR Elliott
Journal of Non Crystalline Solids
(1997)
212
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
Rapid conformation searching .2. Similar compounds
JM Goodman, AG Leach
J CHEM SOC PERK T 2
(1997)
Rapid conformation searching. Part 1. Diastereomeric compounds
JM Goodman, AB Saz
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
(1997)
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
NH-acidities of some sterically hindered ureas
IG Pojarlieff, IB Blagoeva, BP Mikhova, E Atay, AJ Kirby
Journal of Chemical Research Synopses
(1997)
Efficiency of proton transfer catalysis. Intramolecular general acid catalysis of the hydrolysis of dialkyl acetals of benzaldehyde
CJ Brown, AJ Kirby
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
(1997)
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
Stopped-Flow Photo-CIDNP Observation of Protein Folding
PJ Hore, SL Winder, CH Roberts, CM Dobson
Journal of the American Chemical Society
(1997)
119
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