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  • Currently displaying 26341 - 26360 of 30706 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
J CHEM SOC PERK T 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
J CHEM SOC PERK T 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
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
Journal of Physical Chemistry
(1996)
100
Alkali activation of reactive silicas in cements: in situ29Si MAS NMR studies of the kinetics of silicate polymerization
AR Brough, CM Dobson, IG Richardson, GW Groves
Journal of Materials Science
(1996)
31
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
Solid phase reductive alkylation of secondary amines.
NM Khan, V Arumugam, S Balasubramanian
Tetrahedron Letters
(1996)
37
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
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
Statistical properties of the dense hydrogen plasma: An ab initio molecular dynamics investigation
J Kohanoff, JP Hansen
Physical Review E
(1996)
54
The static polarizabilities and hyperpolarizabilities of LiH: electronic and vibrational contributions
MG PAPADOPOULOS, A WILLETTS, NC HANDY, AE UNDERHILL
Molecular Physics
(1996)
88
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
The 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:1H,15N and13C 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