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  • Currently displaying 20101 - 20120 of 30614 publications
Author(s)
Publication title
Journal Name
Publication year
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 and Technology
(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 journal of organic chemistry
(2006)
2
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
J Org Chem
(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
Journal of Chemical Theory and Computation
(2006)
2
Structure and thermodynamics of dilute liquid multicomponent systems
G Kahl, J-P Hansen
Molecular Physics
(2006)
67
The long range model of intermolecular forces
PW Fowler, AD Buckingham
Molecular Physics
(2006)
50
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
Molecular dynamics study of the dynamical properties of an assembly of infinitely thin hard rods
D Frenkel, JF Maguire
Molecular Physics
(2006)
49
A HIGH-RESOLUTION FTIR SPECTROSCOPIC STUDY OF THE 1-4VI BANDS OF N2O3
LA Chewter, IWM Smith, G Yarwood
Molecular Physics
(2006)
63
Molecular-dynamics simulation of argon physisorbed on magnesium oxide
A Alavi, IR McDonald
Molecular Physics
(2006)
69
A POTENTIAL-ENERGY SURFACE FOR THE GROUND-STATE OF CH2
P Knowles, NC Handy, S Carter
Molecular Physics
(2006)
49
ELECTRIC FIELD-GRADIENT-INDUCED BIREFRINGENCE IN N-2, C2H6, C3H6, CL-2, N2O AND CH3F
AD Buckingham, C Graham, JH Williams
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
ELECTROMAGNETIC PROPERTIES OF BH (SIGMA-1+) USING CASSCF WAVEFUNCTIONS
GT Daborn, NC Handy
Molecular Physics
(2006)
49
Semiclassical eigenvalues for non-separable bound systems from classical trajectories: The degenerate case
KS Sorbie, NC Handy
Molecular Physics
(2006)
32
Distributed polarizabilities
AJ Stone
Molecular Physics
(2006)
56
Distributed multipole analysis
AJ Stone, M Alderton
Molecular Physics
(2006)
56