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  • Currently displaying 22681 - 22700 of 29680 publications
Author(s)
Publication title
Journal Name
Publication year
Constructing a map from the electron density to the exchange-correlation potential
JB Lucks, AJ Cohen, NC Handy
Phys. Chem. Chem. Phys.
(2002)
4
The optical gas-sensing properties of an asymmetrically substituted porphyrin
JM Pedrosa, CM Dooling, TH Richardson, RK Hyde, CA Hunter, MT Martín, L Camacho
Journal of Materials Chemistry
(2002)
12
C-H⋯π interactions in the low-temperature crystal structures of α,Ω-unsaturated linear hydrocarbons
AD Bond
Chemical Communications
(2002)
2
Designing neutral coordination networks with the aid of hydrogen bond mimicry using silver(i) carboxylates
L Brammer, MD Burgard, MD Eddleston, CS Rodger, NP Rath, H Adams
CrystEngComm
(2002)
4
Oxygen scavenging by lithium zincates: The synthesis, structural characterisation and derivatisation of [Ph(2-C5H4N)N]2ZnRLi·nthf (R = But, Bun; n = 1, 2)
SR Boss, R Haigh, DJ Linton, AEH Wheatley
Journal of the Chemical Society Dalton Transactions
(2002)
Theoretical determination of the vibrational levels of NH3+ with MULTIMODE
C Léonard, S Carter, NC Handy
Physical Chemistry Chemical Physics
(2002)
4
A study of the known and hypothetical crystal structures of pyridine : why are there four molecules in the asymmetric unit cell?
AT Anghel, GM Day, SL Price
CrystEngComm
(2002)
4
Diagnosis of mixing between middle latitudes and the polar vortex from tracer-tracer correlations
O Morgenstern, JA Pyle, AM Iwi, WA Norton, JW Elkins, DF Hurst, PA Romashkin
Journal of Geophysical Research Atmospheres
(2002)
107
Propene epoxidation over K-promoted Ag/CaCO3 catalysts: The effect of metal particle size
FW Zemichael, A Palermo, MS Tikhov, RM Lambert
Catalysis Letters
(2002)
80
Global optimization and the energy landscapes of Dzugutov clusters
JP Doye, DJ Wales, SI Simdyankin
Faraday discussions
(2002)
118
High-throughput crystallography for lead discovery in drug design.
TL Blundell, H Jhoti, C Abell
Nat Rev Drug Discov
(2002)
1
Velocity auto-correlation functions in three-dimensional vibro-fluidized granular beds
RD Wildman, J-P Hansen, DJ Parker
Physics of Fluids
(2002)
14
Syntheses and magnetic properties of hexanuclear [Cp2Mn3(L1)4]2 and octanuclear [Mn8(L2)124-O)2] (L1=2-HNC5H5N, L2=2-NH-3-Br-5-MeC5H3N, Cp = C5H5)
CS Alvarez, AD Bond, D Cave, MEG Mosquera, EA Harron, RA Layfield, M McPartlin, JM Rawson, PT Wood, DS Wright
Chem Commun (Camb)
(2002)
8
Concomitant polymorphs: Structural studies on the trimorphic dithiadiazolyl radical, ClCNSSN
AD Bond, DA Haynes, CM Pask, JM Rawson
Dalton Transactions
(2002)
17O MQMAS NMR studies of Na-A and Ca-A
JE Readman, N Kim, M Ziliox, CP Grey
Chemical Communications
(2002)
2
Syntheses and structures of the cubanes [PhOSb(µ 3 -NCy)] 4 and [pyOBi(µ 3 -NCy)] 4 (Cy = cyclohexyl, py = 2-pyridyl)
JF Bickley, AD Bond, F García, K Jantos, GT Lawson, M McPartlin, A Steiner, DS Wright
Journal of the Chemical Society Dalton Transactions
(2002)
Structural and thermodynamic properties of spin-polarized fluid hydrogen
H Xu, J-P Hansen
Physics of Plasmas
(2002)
9
Developing tools and standards in molecular informatics
R Glen
Chemical Communications
(2002)
Rate coefficients for rotational energy transfer from the levels OH(X (2)Pi(3/2), v=1, j(i)=1.5, 3.5-8.5) in collisions with He, Ar, N-2 and HNO3
KM Hickson, CM Sadowski, IWM Smith
Phys. Chem. Chem. Phys.
(2002)
4
Nuclear magnetic resonance studies of lithium-ion battery materials
CP Grey, SG Greenbaum
MRS Bulletin
(2002)
27