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  • Currently displaying 19361 - 19380 of 29871 publications
Author(s)
Publication title
Journal Name
Publication year
Conformational Properties of the SDS-Bound State of α-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
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
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
"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
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
Radial distribution functions for inverse-12 (‘soft sphere’) fluids
JP Hansen, JJ Weis
Molecular Physics
(2006)
23
Validity of the high temperature approximation and influence of polydispersity on the phase separation in charged colloidal dispersions
JP Hansen, L Reatto, M Tau, JM Victor
Molecular Physics
(2006)
56
A new basis set for molecular wavefunctions
DJ Allison, NC Handy, SF Boys
Molecular Physics
(2006)
26
REORIENTATION OF N-2 ADSORBED ON GRAPHITE IN VARIOUS COMPUTER-SIMULATED PHASES
RM Lynden-Bell, J Talbot, DJ Tildesley, WA Steele
Molecular Physics
(2006)
54
Approximate relation between the melting of hard spheres and ellipsoidal platelets and needles
D Frenkel
Molecular Physics
(2006)
54
Distributed multipole analysis
AJ Stone, M Alderton
Molecular Physics
(2006)
56
Distributed polarizabilities
AJ Stone
Molecular Physics
(2006)
56
The near infra-red emission band of DO2: determination of the molecular geometry
RP Tuckett, PA Freedman, WJ Jones
Molecular Physics
(2006)
37
Chemical shift calculations for carbon, nitrogen and oxygen in simple molecules
A Velenik, RM Lynden-Bell
Molecular Physics
(2006)
19
A study of vibrational dephasing of the A 1 modes of CH3CN in a computer simulation of the liquid phase
P-O Westlund, RM Lynden-Bell
Molecular Physics
(2006)
60
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