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- Currently displaying 19241 - 19260 of 29657 publications
A reaction surface Hamiltonian study of malonaldehyde.
The Journal of chemical physics
(2006)
125
084313
(doi: 10.1063/1.2338891)
Molecular size evolution of oligomers in organic aerosols collected in urban atmospheres and generated in a smog chamber.
Environ Sci Technol
(2006)
40
5917
(doi: 10.1021/es0525760)
Hydrogenation of aromatic ketones, aldehydes, and epoxides with hydrogen and Pd(0)EnCat (TM) 30NP
Beilstein journal of organic chemistry
(2006)
2
15
(doi: 10.1186/1860-5397-2-15)
Polymorphism of Scyllo-Inositol: Joining Crystal Structure Prediction with Experiment to Elucidate the Structures of Two Polymorphs
Crystal Growth & Design
(2006)
6
2301
(doi: 10.1021/cg060179a)
"Stick and slide" ferrofluidic droplets on superhydrophobic surfaces
Applied Physics Letters
(2006)
89
081911
(doi: 10.1063/1.2336729)
Convergent approaches for the synthesis of the antitumoral peptide, Kahalalide F. Study of orthogonal protecting groups.
The Journal of organic chemistry
(2006)
71
7196
(doi: 10.1021/jo060976f)
Ligand Field Effects on the Aqueous Ru(III)/Ru(II) Redox Couple from an All-Atom Density Functional Theory Perspective.
Journal of chemical theory and computation
(2006)
2
1403
(doi: 10.1021/ct600169e)
Chemical shift calculations for carbon, nitrogen and oxygen in simple molecules
Molecular Physics
(2006)
19
371
(doi: 10.1080/00268977000101371)
A variational method for the calculation of rovibrational levels of any triatomic molecule
Molecular Physics
(2006)
49
745
(doi: 10.1080/00268978300101521)
ELECTRIC FIELD-GRADIENT-INDUCED BIREFRINGENCE IN N-2, C2H6, C3H6, CL-2, N2O AND CH3F
Molecular Physics
(2006)
49
703
(doi: 10.1080/00268978300101481)
A potential energy surface for the ground state of CH2
Molecular Physics
(2006)
49
681
(doi: 10.1080/00268978300101461)
Molecular dynamics study of the dynamical properties of an assembly of infinitely thin hard rods
Molecular Physics
(2006)
49
503
(doi: 10.1080/00268978300101331)
A simple model for solutions of liquid alkali and alkali halides
Molecular Physics
(2006)
50
901
(doi: 10.1080/00268978300102751)
The long range model of intermolecular forces
Molecular Physics
(2006)
50
1349
(doi: 10.1080/00268978300103091)
Matrix elements between determinantal wavefunctions of non-orthogonal orbitals
Molecular Physics
(2006)
53
69
(doi: 10.1080/00268978400102141)
An intermolecular perturbation theory for the region of moderate overlap
Molecular Physics
(2006)
53
83
(doi: 10.1080/00268978400102151)
Approximate relation between the melting of hard spheres and ellipsoidal platelets and needles
Molecular Physics
(2006)
54
145
(doi: 10.1080/00268978500100121)
On the equilibrium structure of dense fluids
Molecular Physics
(2006)
63
747
(doi: 10.1080/00268978800100541)
A high resolution FTIR spectroscopic study of the nv 1 (n = 1–4) bands of N2O3
Molecular Physics
(2006)
63
843
(doi: 10.1080/00268978800100601)
