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- Currently displaying 25081 - 25100 of 29855 publications
Electrical-conductivity calculation in ab initio simulations of metals: Application to liquid sodium
Physical Review B
(1997)
55
15515
(doi: 10.1103/physrevb.55.15515)
Studies in macrolide synthesis: Stereocontrolled synthesis of a C-1-C-13 segment of concanamycin A.
Tetrahedron Letters
(1997)
38
4183
Demixing in hard ellipsoid rod-plate mixtures
The Journal of Chemical Physics
(1997)
106
9270
(doi: 10.1063/1.474012)
How to calculate the true vibrational density of states from inelastic neutron scattering
Physica B: Condensed Matter
(1997)
234
452
Local fluctuations in a fluidized granular medium
Physica A Statistical Mechanics and its Applications
(1997)
240
361
Five years of NO2 vertical column measurements at Faraday (65°S): Evidence for the hydrolysis of BrONO2 on Pinatubo aerosols
Journal of Geophysical Research: Atmospheres
(1997)
102
12987
(doi: 10.1029/97jd00359)
Spectroscopic study of complex formation between alkali metal ions and chromogenic calixarene derivatives
Journal of Molecular Structure
(1997)
408-409
543
Inverse Raman study of liquid crystals
Journal of Molecular Structure
(1997)
408-409
513
Dynamics of hydrogen dissociation on Pt{100}: Steering, screening and thermal roughening effects
The Journal of Chemical Physics
(1997)
106
8896
(doi: 10.1063/1.473953)
Laser spectroscopic study of photoinduced picosecond processes in amorphous and polycrystalline silicon films
Journal of Molecular Structure
(1997)
408
121
Constrained minimizations for the calculation of Kohn-Sham and natural orbitals
Molecular Physics
(1997)
91
567
(doi: 10.1080/002689797171463)
Nuclear quadrupole coupling constants in alkali halide molecules: An ab initio quantum chemical study
Molecular Physics
(1997)
91
391
(doi: 10.1080/002689797171283)
Efficiency of proton transfer catalysis. Intramolecular general acid catalysis of the hydrolysis of dialkyl acetals of benzaldehyde
J CHEM SOC PERK T 2
(1997)
1081
(doi: 10.1039/a700155j)
Rapid conformation searching .2. Similar compounds
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
(1997)
{1205-1208}
(doi: 10.1039/a606712c)
NH-acidities of some sterically hindered ureas
Journal of Chemical Research
(1997)
220
(doi: 10.1039/a608619e)
Rapid conformation searching. Part 1. Diastereomeric compounds
Journal of the Chemical Society Perkin Transactions 2
(1997)
{1201-1204}
(doi: 10.1039/a606711e)
Stopped-flow photo-CIDNP observation of protein folding
Journal of the American Chemical Society
(1997)
119
5049
(doi: 10.1021/ja9644135)
Structural characterisation and comparison of the native and A-states of equine lysozyme.
Journal of molecular biology
(1997)
268
903
(doi: 10.1006/jmbi.1997.0996)
In situ probing of the near-surface properties of heterogeneous catalysts under reaction conditions: An introduction to total electron-yield XAS
Journal of Molecular Catalysis A Chemical
(1997)
119
357
Pressure-induced delocalization of negative-U centres in semiconducting glasses
Physics Letters A
(1997)
229
242