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  • Currently displaying 19361 - 19380 of 29871 publications
Author(s)
Publication title
Journal Name
Publication year
Construction of one- and two-dimensional coordination polymers using ditopic imidazole ligands
L DobrzaƄska, GO Lloyd, T Jacobs, I Rootman, CL Oliver, MW Bredenkamp, LJ Barbour
Journal of Molecular Structure
(2006)
796
A reaction surface Hamiltonian study of malonaldehyde
DP Tew, NC Handy, S Carter
The Journal of Chemical Physics
(2006)
125
Molecular size evolution of oligomers in organic aerosols collected in urban atmospheres and generated in a smog chamber.
M Kalberer, M Sax, V Samburova
Environmental science & technology
(2006)
40
Hydrogenation of aromatic ketones, aldehydes, and epoxides with hydrogen and Pd(0)EnCat (TM) 30NP
SV Ley, AJP Stewart-Liddon, D Pears, RH Perni, K Treacher
Beilstein journal of organic chemistry
(2006)
2
Polymorphism of Scyllo-Inositol:  Joining Crystal Structure Prediction with Experiment to Elucidate the Structures of Two Polymorphs
GM Day, J van de Streek, A Bonnet, JC Burley, W Jones, WDS Motherwell
Crystal Growth & Design
(2006)
6
"Stick and slide" ferrofluidic droplets on superhydrophobic surfaces
Z-G Guo, F Zhou, J-C Hao, Y-M Liang, W-M Liu, WTS Huck
Applied Physics Letters
(2006)
89
Convergent approaches for the synthesis of the antitumoral peptide, Kahalalide F. Study of orthogonal protecting groups.
C Gracia, A Isidro-Llobet, LJ Cruz, GA Acosta, M Alvarez, C Cuevas, E Giralt, F Albericio
The Journal of Organic Chemistry
(2006)
71
Ligand field effects on the aqueous Ru(III)/Ru(II) redox couple from an all-atom density functional theory perspective
R Ayala, M Sprik
J Chem Theory Comput
(2006)
2
Structure and thermodynamics of dilute liquid multicomponent systems
G Kahl, J-P Hansen
Molecular Physics
(2006)
67
Molecular-dynamics simulation of argon physisorbed on magnesium oxide
A Alavi, IR McDonald
Molecular Physics
(2006)
69
Scaling properties of inhomogeneity kinetic energy in some diatomic molecules, in relation to dissociation energies
GJ Laming, A Nagy, NH March
Molecular Physics
(2006)
81
THEORETICAL-STUDY OF THE RENNER-TELLER (A)OVER-TILDE2A1-(X)OVER-TILDE2B1 SYSTEM OF NH2
W Gabriel, G Chambaud, P Rosmus, S Carter, NC Handy
Molecular Physics
(2006)
81
Spin-orbit interactions from self consistent field wavefunctions
MJ Bearpark, NC Handy, P Palmieri, R Tarroni
Molecular Physics
(2006)
80
A study of the induced dipole moments in Li+F- and Li+ … Ne
SAC McDowell, AD Buckingham
Molecular Physics
(2006)
80
FORMULAS FOR THE 1ST AND 2ND DERIVATIVES OF ANISOTROPIC POTENTIALS WITH RESPECT TO GEOMETRICAL PARAMETERS
PLA Popelier, AJ Stone
Molecular Physics
(2006)
82
Diode laser spectroscopy of the 7i-6h and 7h-6g transitions in H2
FJ Basterrechea, PB Davies, DM Smith, RJ Stickland
Molecular Physics
(2006)
81
Chemical shift calculations for carbon, nitrogen and oxygen in simple molecules
A Velenik, RM Lynden-Bell
Molecular Physics
(2006)
19
Radial distribution functions for inverse-12 (‘soft sphere’) fluids
JP Hansen, JJ Weis
Molecular Physics
(2006)
23
A new basis set for molecular wavefunctions
DJ Allison, NC Handy, SF Boys
Molecular Physics
(2006)
26
The relaxation matrices for AX2 and AX3 nuclear spin systems
AD Bain, RM Lynden-Bell
Molecular Physics
(2006)
30