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  • Currently displaying 23901 - 23920 of 30639 publications
Author(s)
Publication title
Journal Name
Publication year
Assessment of a new local exchange functional OPTX
W-M Hoe, AJ Cohen, NC Handy
Chemical Physics Letters
(2001)
341
Mechanism of alkali promotion in heterogeneous catalysis under realistic conditions: Application of electron spectroscopy and electrochemical promotion to the reduction of NO by CO and by propene over rhodium
FJ Williams, A Palermo, MS Tikhov, RM Lambert
Surface Science
(2001)
482
Fundamental aspects of enantioselective heterogeneous catalysis: a NEXAFS study of methyl pyruvate and (S)-(−)-1-(1-naphthyl) ethylamine on Pt{1 1 1}
JM Bonello, ECH Sykes, R Lindsay, FJ Williams, AK Santra, RM Lambert
Surface Science
(2001)
482-485
Is the hydrophobic effect unique to water? The relation between solvation properties and network structure in water and modified water models
DL BERGMAN, RM LYNDEN-BELL
Molecular Physics
(2001)
99
Kinetic energy functionals for molecular calculations
RA KING, NC HANDY
Molecular Physics
(2001)
99
Development and application of a carbonyl-13C-enriched backbone amide linker for solid-phase reaction monitoring
C Jamieson, MS Congreve, PR Hewitt, JJ Scicinski, SV Ley
ACS Combinatorial Science
(2001)
3
Polytetrahedral clusters.
JP Doye, DJ Wales
Phys Rev Lett
(2001)
86
10-Helical conformations in oxetane β-amino acid hexamers
TDW Claridge, JM Goodman, A Moreno, D Angus, SF Barker, C Taillefumier, MP Watterson, GWJ Fleet
Tetrahedron Letters
(2001)
42
Point Defects in Hard-Sphere Crystals
S Pronk, D Frenkel
The Journal of Physical Chemistry B
(2001)
105
Transition states and rearrangement mechanisms from hybrid eigenvector-following and density functional theory.: Application to C10H10 and defect migration in crystalline silicon
Y Kumeda, DJ Wales, LJ Munro
Chemical Physics Letters
(2001)
341
Methylzinctert-butoxide tetrahydrofuran solvate
AD Bond, DJ Linton, AEH Wheatley
Acta Crystallographica Section E Structure Reports Online
(2001)
57
Covalent origin of adsorbate-induced demagnetization at ferromagnetic surfaces
SJ Jenkins, Q Ge, DA King
Physical Review B
(2001)
64
Knot tied around an octahedral metal centre.
CA Hunter, PC Mayers
Nature
(2001)
411
Solid-Phase Development of a 1-Hydroxybenzotriazole Linker for Heterocycle Synthesis Using Analytical Constructs
JJ Scicinski, MS Congreve, C Jamieson, SV Ley, ES Newman, VM Vinader, RA Carr
J Comb Chem
(2001)
3
Line shapes of singlet-state photoassociation spectra of trapped strontium atoms near the photon-recoil temperature
RW Montalvão, R de Jesus Napolitano
Physical Review A Atomic Molecular and Optical Physics
(2001)
64
Synthesis and structure of [Sn9(Ndmp)7(HNdmp)2O2], containing a bidentate double-cubane oxo fragment (H2Ndmp= 2-amino-4,6-dimethoxypyrimidine
N Feeder, EA Harron, MEG Mosquera, AD Woods, DS Wright
Chemical Communications
(2001)
Super-microporous aluminosilicate catalysts via primary amine templating
E Bastardo-Gonzalez, R Mokaya, W Jones
Chemical Communications
(2001)
Rational approaches to the design of cationic gemini surfactants for gene delivery
C McGregor, C Perrin, M Monck, P Camilleri, AJ Kirby
Journal of the American Chemical Society
(2001)
123
Benzene adsorption on Ir{100} studied by low-energy electron diffraction I–V analysis: Evidence for formation of tilted benzyne
K Johnson, B Sauerhammer, S Titmuss, DA King
The Journal of Chemical Physics
(2001)
114
Soft elasticity and mechanical damping in liquid crystalline elastomers
SM Clarke, AR Tajbakhsh, EM Terentjev, C Remillat, GR Tomlinson, JR House
Journal of Applied Physics
(2001)
89