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- Currently displaying 24621 - 24640 of 29382 publications
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)
The rate of isomerisation of peptidyl-proline bonds as a probe for interactions in the physiological denatured state of chymotrypsin inhibitor 2
– Journal of molecular biology
(1997)
269,
611
(doi: 10.1006/jmbi.1997.1043)
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
– 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
Laser spectroscopic study of photoinduced picosecond processes in amorphous and polycrystalline silicon films
– Journal of Molecular Structure
(1997)
408-409,
121
Spectroscopic study of complex formation between alkali metal ions and chromogenic calixarene derivatives
– Journal of Molecular Structure
(1997)
408-409,
543
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)
Inverse Raman study of liquid crystals
– Journal of Molecular Structure
(1997)
408,
513
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)
Local fluctuations in a fluidized granular medium
– Physica A Statistical Mechanics and its Applications
(1997)
240,
361
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. Part 1. Diastereomeric compounds
– Journal of the Chemical Society Perkin Transactions 2
(1997)
{1201-1204}
(doi: 10.1039/a606711e)
Rapid conformation searching. Part 2.1 Similar compounds
– Journal of the Chemical Society, Perkin Transactions 2
(1997)
{1205-1208}
(doi: 10.1039/a606712c)
Photoinduced surface deposition of metallic silver in AgAsS glasses: effect of addition of other elements
– Journal of Non Crystalline Solids
(1997)
212,
166
NH-Acidities of Some Sterically Hindered Ureas†
– Journal of Chemical Research Synopses
(1997)
220
(doi: 10.1039/a608619e)