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  • Currently displaying 24481 - 24500 of 30849 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
N Feeder, YG Lawson, PR Raithby, JM Rawson, A Steiner, JA Wood, AD Woods, DS Wright
Angewandte Chemie
(2000)
39
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 (International ed. in English)
(2000)
39
Sum frequency generation on surfactant-coated gold nanoparticles
T Kawai, DJ Neivandt, PB Davies
Journal of the American Chemical Society
(2000)
122
Three-wave mixing in chiral liquids.
P Fischer, DS Wiersma, R Righini, B Champagne, AD Buckingham
Physical Review Letters
(2000)
85
FRET Fluctuation Spectroscopy:  Exploring the Conformational Dynamics of a DNA Hairpin Loop
MI Wallace, L Ying, S Balasubramanian, D Klenerman
The Journal of Physical Chemistry B
(2000)
104
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
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)Electronic supplementary information (ESI) available: elemental analysis, IR data, unit cell parameters and selected bond lengths and angles. See http://www.rsc.org/suppdata/cc/b0/b006094l/ for crystallographic files in .cif format.
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
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
Electrochemical promotion of catalytic reactions using alkali ion conductors
RM Lambert, A Palermo, FJ Williams, MS Tikhov
Solid State Ionics
(2000)
136
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
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
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
Binding of vancomycin group antibiotics to D-alanine and D-lactate presenting self-assembled monolayers.
MA Cooper, MT Fiorini, C Abell, DH Williams
Bioorganic & Medicinal Chemistry
(2000)
8
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
Elastic Constant Calculations for Molecular Organic Crystals
GM Day, SL Price, M Leslie
Crystal Growth & Design
(2000)
1