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- Currently displaying 28061 - 28080 of 31828 publications
Implementation of Analytic Derivative Density Functional Theory codes on scalar and parallel architectures
E.C.C.C. 1 COMPUTATIONAL CHEMISTRY
(1995)
330
3
NMR studies of hydrofluorocarbon-zeolite interactions
Studies in Surface Science and Catalysis
(1995)
98
89
Folding and binding
Current Opinion in Structural Biology
(1995)
5
56
(doi: 10.1016/0959-440x(95)80009-p)
Photoinduced effects and metastability in amorphous semiconductors and insulators
Advances in Physics
(1995)
44
475
(doi: 10.1080/00018739500101576)
4TH LIBLICE-CONFERENCE ON THE STATISTICAL-MECHANICS OF LIQUIDS - JUNE 6-10, 1994, LAKE MILOVY, CZECH-REPUBLIC
Molecular Simulation
(1995)
15
57
(doi: 10.1080/08927029508022329)
The rational design and systematic analysis of asymmetric aldol reactions using enol borinates: Applications of transition state computer modelling
Tetrahedron Asymmetry
(1995)
6
{2613-2636}
(doi: 10.1016/0957-4166(95)00343-N)
Closed-Form Summation of Some Trigonometric Series
Mathematics of Computation
(1995)
64
205
(doi: 10.2307/2153329)
REACTION-PATH ZERO-POINT ENERGY FROM DIFFUSION MONTE- CARLO CALCULATIONS
J. Chem. Phys.
(1995)
102
1592-1596
Dispiroketals in synthesis (part 19)1: Dispiroketals as enantioselective and regioselective protective agents for symmetric cyclic and acyclic polyols.
Tetrahedron Asymmetry
(1995)
6
2403
(doi: 10.1016/0957-4166(95)00318-J)
Bridged thiazolium salts as models for thiamin: NMR, crystallographic and molecular mechanics studies
Journal of the Chemical Society, Perkin Transactions 2
(1995)
777
(doi: 10.1039/p29950000777)
14N population transfers in two-dimensional 13C-14N-1H triple-resonance magic-angle spinning nuclear magnetic resonance spectroscopy.
Solid State Nucl Magn Reson
(1995)
4
{113-120}
(doi: 10.1016/0926-2040(94)00041-a)
“Protein Structures in Solution Viewed by NMR”, in Making the Most of Your Model
(1995)
53
Infrared laser and microwave spectroscopy of electric discharges
Chemical Society Reviews
(1995)
24
151
(doi: 10.1039/cs9952400151)
Far-infrared laser magnetic resonance spectroscopy of vibrationally excited CF radicals
Journal of Molecular Spectroscopy
(1995)
171
402
(doi: 10.1006/jmsp.1995.1129)
Band-Selective Correlation Spectroscopy
Journal of Magnetic Resonance
(1995)
112
134
(doi: 10.1006/jmra.1995.1023)
Characterisation of al-pillared acid activated clay catalysts
Journal of Materials Chemistry
(1995)
5
2027
(doi: 10.1039/jm9950502027)
Computer simulation of colloid-polymer mixtures
Physica A Statistical Mechanics and its Applications
(1995)
213
130
(doi: 10.1016/0378-4371(94)00154-l)
General discussion
FARADAY DISCUSS
(1995)
102
451
A study of the mixed-alkali effect in disilicate glasses using 7Li nuclear magnetic resonance
Journal of Non-Crystalline Solids
(1995)
193
207
(doi: 10.1016/0022-3093(95)00439-4)