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  • Currently displaying 19781 - 19800 of 30289 publications
Author(s)
Publication title
Journal Name
Publication year
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
A reaction surface Hamiltonian study of malonaldehyde.
DP Tew, NC Handy, S Carter
J Chem Phys
(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 & 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
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 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
The long range model of intermolecular forces
PW Fowler, AD Buckingham
Molecular Physics
(2006)
50
A simple model for solutions of liquid alkali and alkali halides
G Chabrier, JP Hansen
Molecular Physics
(2006)
50
Electromagnetic properties of BH (1Σ+) using CASSCF wavefunctions
GT Daborn, NC Handy
Molecular Physics
(2006)
49
A variational method for the calculation of rovibrational levels of any triatomic molecule
S Carter, NC Handy, BT Sutcliffe
Molecular Physics
(2006)
49
Electric field-gradient-induced birefringence in N2, C2H6, C3H6, Cl2, N2O and CH3F
AD Buckingham, C Graham, JH Williams
Molecular Physics
(2006)
49
A potential energy surface for the ground state of CH2
P Knowles, NC Handy, S Carter
Molecular Physics
(2006)
49
Coupling of vibrational and reorientational dephasing in mobile liquids
RM Lynden-Bell
Molecular Physics
(2006)
36
Molecular dynamics study of the dynamical properties of an assembly of infinitely thin hard rods
D Frenkel, JF Maguire
Molecular Physics
(2006)
49
Reorientational correlation functions for computer-simulated liquids of tetrahedral molecules
RM Lynden-Bell, IR McDonald
Molecular Physics
(2006)
43
Chemical shift calculations for carbon, nitrogen and oxygen in simple molecules
A Velenik, RM Lynden-Bell
Molecular Physics
(2006)
19
DETERMINATION OF DERIVATIVES OF THE POLARIZABILITY ANISOTROPY IN DIATOMIC-MOLECULES .2. THE HYDROGEN AND NITROGEN MOLECULES
H-O Hamaguchi, AD Buckingham, WJ Jones
Molecular Physics
(2006)
43