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  • Currently displaying 20121 - 20140 of 30651 publications
Author(s)
Publication title
Journal Name
Publication year
Collision-induced rotational Raman scattering by tetrahedral and octahedral molecules
AD Buckingham, GC Tabisz
Molecular Physics
(2006)
36
The design and synthesis of inhibitors of pantothenate synthetase.
KL Tuck, SA Saldanha, LM Birch, AG Smith, C Abell
Organic & Biomolecular Chemistry
(2006)
4
Conformational properties of the SDS-bound state of alpha-synuclein probed by limited proteolysis: unexpected rigidity of the acidic C-terminal tail.
PP de Laureto, L Tosatto, E Frare, O Marin, VN Uversky, A Fontana
Biochemistry
(2006)
45
1D and 2D metal-organic frameworks functionalized with free pyridyl groups
TD Hamilton, D-K Bučar, MBJ Atkinson, GS Papaefstathiou, LR MacGillivray
Journal of Molecular Structure
(2006)
796
Construction of one- and two-dimensional coordination polymers using ditopic imidazole ligands
L Dobrzańska, 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
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 and Design
(2006)
6
Molecular size evolution of oligomers in organic aerosols collected in urban atmospheres and generated in a smog chamber.
M Kalberer, M Sax, V Samburova
Environ Sci Technol
(2006)
40
Hydrogenation of aromatic ketones, aldehydes, and epoxides with hydrogen and Pd(0)EnCat 30NP.
SV Ley, AJP Stewart-Liddon, D Pears, RH Perni, K Treacher
Beilstein J Org Chem
(2006)
2
"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
Approximate relation between the melting of hard spheres and ellipsoidal platelets and needles
D Frenkel
Molecular Physics
(2006)
54
Molecular-dynamics simulation of argon physisorbed on magnesium oxide
A Alavi, IR McDonald
Molecular Physics
(2006)
69
Structure and thermodynamics of dilute liquid multicomponent systems
G Kahl, J-P Hansen
Molecular Physics
(2006)
67
A high resolution FTIR spectroscopic study of the nv 1 (n = 1–4) bands of N2O3
LA Chewter, IWM Smith, G Yarwood
Molecular Physics
(2006)
63
On the equilibrium structure of dense fluids
JL Barrat, JP Hansen, G Pastore
Molecular Physics
(2006)
63
Spin-orbit interactions from self consistent field wavefunctions
MJ Bearpark, NC Handy, P Palmieri, R Tarroni
Molecular Physics
(2006)
80
A study of vibrational dephasing of theA1modes of CH3CN in a computer simulation of the liquid phase
P-O Westlund, RM Lynden-Bell
Molecular Physics
(2006)
60
A study of the induced dipole moments in Li+F- and Li+ … Ne
SAC McDowell, AD Buckingham
Molecular Physics
(2006)
80