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  • Currently displaying 24561 - 24580 of 30936 publications
Author(s)
Publication title
Journal Name
Publication year
Kinetic energy functionals from the Kohn-Sham potential
RA King, NC Handy
Physical Chemistry Chemical Physics
(2000)
2
A Li-10 cage containing the [C6H11P - C(Ph)- N](2-) ion: Umpolung in the oligomerization of a nitrile
N Feeder, YG Lawson, PR Raithby, JM Rawson, A Steiner, JA Wood, AD Woods, DS Wright
Angewandte Chemie International Edition
(2000)
39
Sum Frequency Generation on Surfactant-Coated Gold Nanoparticles
T Kawai, DJ Neivandt, PB Davies
Journal of the American Chemical Society
(2000)
122
A New Highly Efficient Catalyst System for the Coupling of Nonactivated and Deactivated Aryl Chlorides with Arylboronic Acids
A Zapf, A Ehrentraut, M Beller
Angewandte Chemie
(2000)
39
Three-Wave Mixing in Chiral Liquids
P Fischer, DS Wiersma, R Righini, B Champagne, AD Buckingham
Physical review letters
(2000)
85
A variational method for the calculation of spin-rovibronic energy levels of triatomic molecules with three interacting electronic states
S Carter, NC Handy, C Puzzarini, R Tarroni, P Palmieri
Molecular Physics
(2000)
98
FRET fluctuation spectroscopy: Exploring the conformational dynamics of a DNA hairpin loop
MI Wallace, L Ying, S Balasubramanian, D Klenerman
Journal of Physical Chemistry B
(2000)
104
Two interacting electrons in a box: An exact diagonalization study
A Alavi
Journal of Chemical Physics
(2000)
113
Predictions of rotation-vibration effects in time-resolved photoelectron angular distributions
SC Althorpe, T Seideman
The Journal of Chemical Physics
(2000)
113
Conformationally stressed phthalocyanines: The non-planarity of the 1,4,8,11,15,18,22,25-octaisopentyl derivative
I Chambrier, MJ Cook, PT Wood
Chemical Communications
(2000)
Hydrothermal crystal engineering using hard and soft acids and bases: synthesis and X-ray crystal structures of the metal hydroxide-based phases M3M′2(OH)2[NC5H3(CO2)2-2,4]4(H2O)4 (M = Co, Ni, Zn; M′ = Pd, Pt)
LA Gerrard, PT Wood
Chemical Communications
(2000)
19F/23Na Double Resonance MAS NMR Study of Oxygen/Fluorine Ordering in the Oxyfluoride Na5W3O9F5
L-S Du, A Samoson, T Tuherm, CP Grey
Chemistry of Materials
(2000)
12
Electrochemical promotion of catalytic reactions using alkali ion conductors
RM Lambert, A Palermo, FJ Williams, MS Tikhov
Solid State Ionics
(2000)
136
Successful application of electrochemical promotion to the design of effective conventional catalyst formulations
IV Yentekakis, M Konsolakis, RM Lambert, A Palermo, M Tikhov
Solid State Ionics
(2000)
136-137
Binding of vancomycin group antibiotics to d-alanine and d-lactate presenting self-assembled monolayers
MA Cooper, MT Fiorini, C Abell, DH Williams
Bioorg Med Chem
(2000)
8
Trapping the tetrahedral intermediate in the 1,3-shift of an acetyl group using a triisopropylsilyl group
I Fleming, AK Mandal
JOURNAL OF THE INDIAN CHEMICAL SOCIETY
(2000)
77
Influence of receptor number on functional responses elicited by agonists acting at the human adenosine A(1) receptor: evidence for signaling pathway-dependent changes in agonist potency and relative intrinsic activity.
Y Cordeaux, SJ Briddon, AE Megson, J McDonnell, JM Dickenson, SJ Hill
Molecular Pharmacology
(2000)
58
Comparison of two optimization methods to derive energy parameters for protein folding: Perceptron and Z score
M Vendruscolo, LA Mirny, EI Shakhnovich, E Domany
Proteins: Structure, Function, and Genetics
(2000)
41
A three-dimensional model calculation of the ozone depletion potential of 1-bromopropane (1-C3H7Br)
CH Bridgeman, JA Pyle, DE Shallcross
Journal of Geophysical Research Atmospheres
(2000)
105
Efficient free energy calculations by variationally optimized metric scaling: Concepts and applications to the volume dependence of cluster free energies and to solid–solid phase transitions
MA Miller, WP Reinhardt
The Journal of Chemical Physics
(2000)
113