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- Currently displaying 20101 - 20120 of 30614 publications
A reaction surface Hamiltonian study of malonaldehyde.
J Chem Phys
(2006)
125
084313
(doi: 10.1063/1.2338891)
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)
Molecular size evolution of oligomers in organic aerosols collected in urban atmospheres and generated in a smog chamber.
Environmental Science and Technology
(2006)
40
5917
(doi: 10.1021/es0525760)
Hydrogenation of aromatic ketones, aldehydes, and epoxides with hydrogen and Pd(0)EnCat™ 30NP
Beilstein journal of organic chemistry
(2006)
2
15
(doi: 10.1186/1860-5397-2-15)
Convergent approaches for the synthesis of the antitumoral peptide, Kahalalide F. study of orthogonal protecting groups
J Org Chem
(2006)
71
7196
(doi: 10.1021/jo060976f)
“Stick and slide” ferrofluidic droplets on superhydrophobic surfaces
Applied Physics Letters
(2006)
89
081911
(doi: 10.1063/1.2336729)
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)
Structure and thermodynamics of dilute liquid multicomponent systems
Molecular Physics
(2006)
67
367
(doi: 10.1080/00268978900101131)
The long range model of intermolecular forces
Molecular Physics
(2006)
50
1349
(doi: 10.1080/00268978300103091)
A study of vibrational dephasing of the A 1 modes of CH3CN in a computer simulation of the liquid phase
Molecular Physics
(2006)
60
1189
(doi: 10.1080/00268978700100791)
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 HIGH-RESOLUTION FTIR SPECTROSCOPIC STUDY OF THE 1-4VI BANDS OF N2O3
Molecular Physics
(2006)
63
843
(doi: 10.1080/00268978800100601)
Molecular-dynamics simulation of argon physisorbed on magnesium oxide
Molecular Physics
(2006)
69
703
(doi: 10.1080/00268979000100521)
A POTENTIAL-ENERGY SURFACE FOR THE GROUND-STATE OF CH2
Molecular Physics
(2006)
49
681
(doi: 10.1080/00268978300101461)
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 variational method for the calculation of rovibrational levels of any triatomic molecule
Molecular Physics
(2006)
49
745
(doi: 10.1080/00268978300101521)
ELECTROMAGNETIC PROPERTIES OF BH (SIGMA-1+) USING CASSCF WAVEFUNCTIONS
Molecular Physics
(2006)
49
1277
(doi: 10.1080/00268978300101931)
Semiclassical eigenvalues for non-separable bound systems from classical trajectories: The degenerate case
Molecular Physics
(2006)
32
1327
(doi: 10.1080/00268977600102721)