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- Currently displaying 26621 - 26640 of 30702 publications
The density functional calculation of nuclear shielding constants using London atomic orbitals
The Journal of Chemical Physics
(1995)
103
10095
(doi: 10.1063/1.469912)
On the form of the exact quantum mechanical vibrational kinetic energy operator for penta-atomic molecules in internal coordinates
Molecular Physics
(1995)
86
959
(doi: 10.1080/00268979500102521)
RATE COEFFICIENTS FOR STATE-TO-STATE ROVIBRONIC RELAXATION IN COLLISIONS BETWEEN NO(X(2)II, NU=2,OMEGA,J) AND NO, HE, AND AR AT 295, 200, AND 80 K
The Journal of Chemical Physics
(1995)
103
9676
(doi: 10.1063/1.469983)
Br2-sensitised decomposition of ozone: Kinetics of the reaction BrO + O3 → products
Journal of the Chemical Society Faraday Transactions
(1995)
91
4189
(doi: 10.1039/FT9959104189)
Studies in macrolide synthesis: A sequential aldol/glycosylation approach to the synthesis of concanamycin A
Tetrahedron Letters
(1995)
36
9065
(doi: 10.1016/0040-4039(95)01913-3)
Investigations using the Becke-Roussel exchange functional
Chemical Physics Letters
(1995)
246
381
(doi: 10.1016/0009-2614(95)01143-2)
A genetic algorithm for flexible molecular overlay and pharmacophore elucidation
Journal of Computer-Aided Molecular Design
(1995)
9
532
(doi: 10.1007/bf00124324)
Advances in power supply and control system for electrostatic accelerators
Proceedings of the IEEE Particle Accelerator Conference
(1995)
3
1979
Ab initio atomistic simulation of the strength of defective aluminum and tests of empirical force models
Physical Review B
(1995)
52
15191
(doi: 10.1103/physrevb.52.15191)
Neutron and Raman spectroscopies of 134 and 134a hydrofluorocarbons encaged in Na-X zeolite
Materials Research Society Symposium Proceedings
(1995)
376
751
Ab initio atomistic simulation of the strength of defective aluminum and tests of empirical force models
Physical Review B
(1995)
52
15191
(doi: 10.1103/PhysRevB.52.15191)
Some insights into the process of E-beam generation of metal nanoparticles from binary metal hydride and azide precursors
Materials Research Society Symposium Proceedings
(1995)
354
705
Temporal and spatial distribution profiles of lithium atoms in low-pressure discharges by concentration-modulated absorption spectroscopy
Physical Chemistry Chemical Physics
(1995)
91
1297
(doi: 10.1039/ft9959101297)
Dispiroketals: a new functional group for organic synthesis
Journal of the Chemical Society Perkin Transactions 1
(1995)
2
365
(doi: 10.1039/CO9950200365)
Early modelling results from the SESAME and ASHOE campaigns
Faraday Discussions
(1995)
100
371
(doi: 10.1039/fd9950000371)
THE PHOTOLYSIS OF 3-CYCLOPENTENONE ADSORBED ON AN MGF2 SURFACE
Chemical Physics Letters
(1995)
246
269
(doi: 10.1016/0009-2614(95)01092-n)
The Structure of the Transition State for Folding of Chymotrypsin Inhibitor 2 Analysed by Protein Engineering Methods: Evidence for a Nucleation-condensation Mechanism for Protein Folding
Journal of Molecular Biology
(1995)
254
260
(doi: 10.1006/jmbi.1995.0616)
Search for Nucleation Sites in Smaller Fragments of Chymotrypsin Inhibitor 2
J Mol Biol
(1995)
254
289
(doi: 10.1006/jmbi.1995.0617)
A Comparison of the pH, Urea, and Temperature-denatured States of Barnase by Heteronuclear NMR: Implications for the Initiation of Protein Folding
J Mol Biol
(1995)
254
305
(doi: 10.1006/jmbi.1995.0618)
Optimization of rates of protein folding: the nucleation-condensation mechanism and its implications.
Proceedings of the National Academy of Sciences
(1995)
92
10869
(doi: 10.1073/pnas.92.24.10869)
