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  • Currently displaying 24701 - 24720 of 29303 publications
Author(s)
Publication title
Journal Name
Publication year
Higher-order gradient corrections for exchange-correlation functionals
R Neumann, NC Handy
Chemical Physics Letters
(1997)
266
Adsorption of ethyne on Cu(110): Experimental and theoretical study
JR Lomas, CJ Baddeley, MS Tikhov, RM Lambert, G Pacchioni
Langmuir
(1997)
13
The use of a dithiane protected benzoin photolabile safety catch linker for solid-phase synthesis.
A Routledge, C Abell, S Balasubramanian
Tetrahedron Letters
(1997)
38
Cyclobutanone as an electrophile for lithiated phosphine oxides: ‘Internal quench’ conditions
C Guéguen, P O'Brien, S Warren, P Wyatt
Journal of Organometallic Chemistry
(1997)
529
Experimental and molecular orbital calculational study of the stereoselective Horner—Wittig reaction with phosphine oxides: Control of stereoselectivity by lithium
DR Armstrong, D Barr, MG Davidson, G Hutton, P O'Brien, R Snaith, S Warren
Journal of Organometallic Chemistry
(1997)
529
Modified configurational bias monte carlo method for simulation of polymer systems
M Vendruscolo
Journal of Chemical Physics
(1997)
106
Distribution of tetrahedral and octahedral A1 sites in gamma alumina
M-H Lee, C-F Cheng, V Heine, J Klinowski
Chemical Physics Letters
(1997)
265
On the accuracy of molecular exchange-correlation potentials computed from electron densities
DJ Tozer, K Somasundram, NC Handy
Chemical Physics Letters
(1997)
265
In focus - Reply
DA Jefferson
SCIENCE
(1997)
275
Gradient Line Reaction Paths for Hindered Internal Rotation in H2BNH2 and Inversion in PF3
RM Minyaev, DJ Wales, TR Walsh
Journal of Physical Chemistry A
(1997)
101
An approach to the manzamine alkaloids modelled on a biogenetic theory
JE Baldwin, L Bischoff, TDW Claridge, FA Heupel, DR Spring, RC Whitehead
Tetrahedron
(1997)
53
A spectroscopic study of the chemistry and reactivity of SO2 on Pt{111}: Reactions with O-2, CO and C3H6
K Wilson, C Hardacre, CJ Baddeley, J Lüdecke, DP Woodruff, RM Lambert
Surface Science
(1997)
372
DNA base-stacking interactions: a comparison of theoretical calculations with oligonucleotide X-ray crystal structures11Edited by A. Klug
CA Hunter, XJ Lu
J Mol Biol
(1997)
265
Total Synthesis of Scytophycin C
I Paterson, C Watson, K-S Yeung, PA Wallace, RA Ward
J Org Chem
(1997)
62
Organic Molecular Solids
W Jones
(1997)
Reactivity and Crystal Design in Organic Solid State Chemistry
W Jones
(1997)
The folding pathway of a protein at high resolution from microseconds to seconds.
B Nölting, R Golbik, JL Neira, AS Soler-Gonzalez, G Schreiber, AR Fersht
Proceedings of the National Academy of Sciences
(1997)
94
Calorimetric investigation of NO and CO adsorption on Pd{100} and the influence of preadsorbed carbon
YY Yeo, L Vattuone, DA King
The Journal of Chemical Physics
(1997)
106
Oxygen chemisorption and oxide film growth on Ni{100}, {110}, and {111}: Sticking probabilities and microcalorimetric adsorption heats
JT Stuckless, CE Wartnaby, N Al-Sarraf, SJB Dixon-Warren, M Kovar, DA King
The Journal of Chemical Physics
(1997)
106
Three‐dimensional chemical forecasting: A methodology
AM Lee, GD Carver, MP Chipperfield, JA Pyle
Journal of Geophysical Research
(1997)
102