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- Currently displaying 25821 - 25840 of 30563 publications
Constrained minimizations for the calculation of Kohn-Sham and natural orbitals
Molecular Physics
(1997)
91
567
(doi: 10.1080/002689797171463)
Properties of fluorophores on solid phase resins; implications for screening, encoding and reaction monitoring
Bioorganic & Medicinal Chemistry Letters
(1997)
7
1567
Studies towards the synthesis of the zaragozic acids: Synthesis of the bicyclic acetal core of zaragozic acid C
Tetrahedron Letters
(1997)
38
4301
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)
234-236
452
Inverse Raman study of liquid crystals
Journal of Molecular Structure
(1997)
408-409
513
Spectroscopic study of complex formation between alkali metal ions and chromogenic calixarene derivatives
Journal of Molecular Structure
(1997)
408
543
Local fluctuations in a fluidized granular medium
Physica A: Statistical Mechanics and its Applications
(1997)
240
361
Photoinduced surface deposition of metallic silver in AgAsS glasses: effect of addition of other elements
Journal of Non Crystalline Solids
(1997)
212
166
Laser spectroscopic study of photoinduced picosecond processes in amorphous and polycrystalline silicon films
Journal of Molecular Structure
(1997)
408
121
Rapid conformation searching .2. Similar compounds
J CHEM SOC PERK T 2
(1997)
{1205-1208}
(doi: 10.1039/a606712c)
Rapid conformation searching. Part 1. Diastereomeric compounds
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
(1997)
{1201-1204}
(doi: 10.1039/a606711e)
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)
NH-acidities of some sterically hindered ureas
Journal of Chemical Research Synopses
(1997)
220
(doi: 10.1039/a608619e)
Efficiency of proton transfer catalysis. Intramolecular general acid catalysis of the hydrolysis of dialkyl acetals of benzaldehyde
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
(1997)
1081
(doi: 10.1039/a700155j)
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)
Stopped-Flow Photo-CIDNP Observation of Protein Folding
Journal of the American Chemical Society
(1997)
119
5049
(doi: 10.1021/ja9644135)
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