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  • Currently displaying 19361 - 19380 of 29868 publications
Author(s)
Publication title
Journal Name
Publication year
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
Molecular-dynamics simulation of argon physisorbed on magnesium oxide
A Alavi, IR McDonald
Molecular Physics
(2006)
69
Matrix elements between determinantal wavefunctions of non-orthogonal orbitals
IC Hayes, AJ Stone
Molecular Physics
(2006)
53
FORMULAS FOR THE 1ST AND 2ND DERIVATIVES OF ANISOTROPIC POTENTIALS WITH RESPECT TO GEOMETRICAL PARAMETERS
PLA Popelier, AJ Stone
Molecular Physics
(2006)
82
An intermolecular perturbation theory for the region of moderate overlap
IC Hayes, AJ Stone
Molecular Physics
(2006)
53
The relaxation matrices for AX2 and AX3 nuclear spin systems
AD Bain, RM Lynden-Bell
Molecular Physics
(2006)
30
Diode laser spectroscopy of the 7i-6h and 7h-6g transitions in H2
FJ Basterrechea, PB Davies, DM Smith, RJ Stickland
Molecular Physics
(2006)
81
Structure and thermodynamics of dilute liquid multicomponent systems
G Kahl, J-P Hansen
Molecular Physics
(2006)
67
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
Radial distribution functions for inverse-12 (‘soft sphere’) fluids
JP Hansen, JJ Weis
Molecular Physics
(2006)
23
INTERMOLECULAR PERTURBATION-THEORY APPLICATIONS TO HEBE, ARHF, ARHCL AND NEH2
IC Hayes, GJB Hurst, AJ Stone
Molecular Physics
(2006)
53
A new basis set for molecular wavefunctions
DJ Allison, NC Handy, SF Boys
Molecular Physics
(2006)
26
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
A HIGH-RESOLUTION FTIR SPECTROSCOPIC STUDY OF THE 1-4VI BANDS OF N2O3
LA Chewter, IWM Smith, G Yarwood
Molecular Physics
(2006)
63
On the equilibrium structure of dense fluids
JL Barrat, JP Hansen, G Pastore
Molecular Physics
(2006)
63