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  • Currently displaying 19281 - 19300 of 29898 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™ 30NP
SV Ley, AJP Stewart-Liddon, D Pears, RH Perni, K Treacher
Beilstein Journal of Organic Chemistry
(2006)
2
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
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
“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 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
Approximate relation between the melting of hard spheres and ellipsoidal platelets and needles
D Frenkel
Molecular Physics
(2006)
54
The near infra-red emission band of DO2: determination of the molecular geometry
RP Tuckett, PA Freedman, WJ Jones
Molecular Physics
(2006)
37
Electromagnetic properties of BH (1Σ+) using CASSCF wavefunctions
GT Daborn, NC Handy
Molecular Physics
(2006)
49
Molecular-dynamics simulation of argon physisorbed on magnesium oxide
A Alavi, IR McDonald
Molecular Physics
(2006)
69
Spin-orbit interactions from self consistent field wavefunctions
MJ Bearpark, NC Handy, P Palmieri, R Tarroni
Molecular Physics
(2006)
80
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
A study of the induced dipole moments in Li+F- and Li+ … Ne
SAC McDowell, AD Buckingham
Molecular Physics
(2006)
80
RADIAL DISTRIBUTION FUNCTIONS FOR INVERSE-12 (SOFT SPHERE) FLUIDS
JP Hansen, JJ Weis
Molecular Physics
(2006)
23
Semiclassical eigenvalues for non-separable bound systems from classical trajectories: The degenerate case
KS Sorbie, NC Handy
Molecular Physics
(2006)
32
An intermolecular perturbation theory for the region of moderate overlap
IC Hayes, AJ Stone
Molecular Physics
(2006)
53
A simple model for solutions of liquid alkali and alkali halides
G Chabrier, JP Hansen
Molecular Physics
(2006)
50
Coupling of vibrational and reorientational dephasing in mobile liquids
RM Lynden-Bell
Molecular Physics
(2006)
36
Structure and thermodynamics of dilute liquid multicomponent systems
G Kahl, J-P Hansen
Molecular Physics
(2006)
67