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  • Currently displaying 20601 - 20620 of 31130 publications
Author(s)
Publication title
Journal Name
Publication year
A reaction surface Hamiltonian study of malonaldehyde.
DP Tew, NC Handy, S Carter
The Journal of chemical physics
(2006)
125
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
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
“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
A simple model for solutions of liquid alkali and alkali halides
G Chabrier, JP Hansen
Molecular Physics
(2006)
50
The long range model of intermolecular forces
PW Fowler, AD Buckingham
Molecular Physics
(2006)
50
A study of the induced dipole moments in Li+F- and Li+ … Ne
SAC McDowell, AD Buckingham
Molecular Physics
(2006)
80
Matrix elements between determinantal wavefunctions of non-orthogonal orbitals
IC Hayes, AJ Stone
Molecular Physics
(2006)
53
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
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
An intermolecular perturbation theory for the region of moderate overlap
IC Hayes, AJ Stone
Molecular Physics
(2006)
53
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
Distributed multipole analysis
AJ Stone, M Alderton
Molecular Physics
(2006)
56
Distributed polarizabilities
AJ Stone
Molecular Physics
(2006)
56
A study of vibrational dephasing of the a1 modes of CH3CN in a computer simulation of the liquid phase
P-O Westlund, RM Lynden-Bell
Molecular Physics
(2006)
60
On the equilibrium structure of dense fluids
JL Barrat, JP Hansen, G Pastore
Molecular Physics
(2006)
63
INTERMOLECULAR PERTURBATION-THEORY APPLICATIONS TO HEBE, ARHF, ARHCL AND NEH2
IC Hayes, GJB Hurst, AJ Stone
Molecular Physics
(2006)
53
Spin-orbit interactions from self consistent field wavefunctions
MJ Bearpark, NC Handy, P Palmieri, R Tarroni
Molecular Physics
(2006)
80