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  • Currently displaying 26601 - 26620 of 30961 publications
Author(s)
Publication title
Journal Name
Publication year
Ab initio molecular dynamics simulation of liquid water: Comparison three gradient-corrected density functionals
M Sprik, J Hutter, M Parrinello
Journal of Chemical Physics
(1996)
105
Chemisorption and reactivity of furan on Pd{111}
RM Ormerod, CJ Baddeley, C Hardacre, RM Lambert
Surface Science
(1996)
360
Fragmentation of an imido tin( II ) cubane; syntheses and structures of heterobimetallic complexes containing tin( II ) imido and phosphinidine anions
RE Allan, MA Beswick, NL Cromhout, MA Paver, PR Raithby, A Steiner, M Trevithick, DS Wright
Chemical Communications
(1996)
Chemistry of insect antifeedants from Azadirachta indica (part 21): synthesis of model compounds of azadirachtin using a decalin framework as a functional group scaffolding
ML de la Puente, SV Ley, MSJ Simmonds, WM Blaney
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 1
(1996)
Chemistry of insect antifeedants from Azadirachta indica (part 20): synthesis of biologically active, simple analogues of azadirachtin, containing the hydroxytetrahydrofurancarboxylate hemiketal moiety
ML de la Puente, RB Grossman, SV Ley, MSJ Simmonds, WM Blaney
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 1
(1996)
ESCA, Solid-State NMR, and X-Ray Diffraction Studies of Perisubstituted Naphthalene Derivatives
K Wozniak, H He, J Klinowski, TL Barr, SE Hardcastle
The Journal of Physical Chemistry
(1996)
100
ESCA and Solid-State NMR Studies of Ionic Complexes of 1,8-Bis(dimethylamino)naphthalene
K Wozniak, H He, J Klinowski, TL Barr, P Milart
The Journal of Physical Chemistry
(1996)
100
The static polarizabilities and hyperpolarizabilities of LiH: electronic and vibrational contributions
MG PAPADOPOULOS, A WILLETTS, NC HANDY, AE UNDERHILL
Molecular Physics
(1996)
88
Statistical properties of the dense hydrogen plasma: An ab initio molecular dynamics investigation
J Kohanoff, JP Hansen
Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics
(1996)
54
The shikimate pathway. Part 9. Halogenation at C-3 of the shikimate nucleus
R Brettle, R Cross, M Frederickson, E Haslam, FS MacBeath, GM Davies
Tetrahedron
(1996)
52
Alkali activation of reactive silicas in cements: In situ 29Si MAS NMR studies of the kinetics of silicate polymerization
AR Brough, CM Dobson, IG Richardson, GW Groves
Journal of Materials Science
(1996)
31
Efficient alkylsulfanyl (SMe, SEt and SCH2Ph) and sulfanyl (SH) migration in the stereospecific synthesis of substituted tetrahydrofurans
J Eames, RVH Jones, S Warren
Tetrahedron Letters
(1996)
37
Solid phase reductive alkylation of secondary amines.
NM Khan, V Arumugam, S Balasubramanian
Tetrahedron Letters
(1996)
37
Synthesis and structure of [Bi-2(N(t)Bu)(4)]Li-2(2)center dot 2THF; A bimetallic cubane fragment containing a [Bi-2(N(t)Bu)(4)](2-) anion
AJ Edwards, MA Beswick, JR Galsworthy, MA Paver, PR Raithby, M-A Rennie, CA Russell, KL Verhorevoort, DS Wright
Inorganica Chimica Acta
(1996)
248
Stereochemically controlled synthesis of 1,8-dioxaspiro[4.5]decanes and 1-oxa-8-thiaspiro[4.5]decanes by phenylsulfanyl migration
J Eames, MA de las Heras, RVH Jones, S Warren
Tetrahedron Letters
(1996)
37
Numerical calculation of the rate of crystal nucleation in a Lennard-Jones system at moderate undercooling
P Rein ten Wolde, MJ Ruiz-Montero, D Frenkel
Journal of Chemical Physics
(1996)
104
Alumination of the purely siliceous mesoporous molecular sieve MCM-41 and its hydrothermal conversion into zeolite Na-A
H Hamdan, S Endud, H He, MNM Muhid, J Klinowski
Physical Chemistry Chemical Physics
(1996)
92
Cold denaturation of barstar: H-1, N-15 and C-13 NMR assignment and characterisation of residual structure
KB Wong, SM Freund, AR Fersht
Journal of molecular biology
(1996)
259
Reconstruction of Clean and Adsorbate-Covered Metal Surfaces
S Titmuss, A Wander, DA King
Chem Rev
(1996)
96
Solid-state NMR studies of the aluminophosphate molecular sieve VPI-5
H He, J Klinowski
Catalysis Today
(1996)
30