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- Currently displaying 20101 - 20120 of 30626 publications
Polymorphism of Scyllo-Inositol: Joining Crystal Structure Prediction with Experiment to Elucidate the Structures of Two Polymorphs
Crystal Growth and 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 & Technology
(2006)
40
5917
(doi: 10.1021/es0525760)
Hydrogenation of aromatic ketones, aldehydes, and epoxides with hydrogen and Pd(0)EnCat 30NP.
Beilstein J Org Chem
(2006)
2
15
(doi: 10.1186/1860-5397-2-15)
"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.
J Org Chem
(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)
A HIGH-RESOLUTION FTIR SPECTROSCOPIC STUDY OF THE 1-4VI BANDS OF N2O3
Molecular Physics
(2006)
63
843
(doi: 10.1080/00268978800100601)
Electromagnetic properties of BH (1Σ+) using CASSCF wavefunctions
Molecular Physics
(2006)
49
1277
(doi: 10.1080/00268978300101931)
A variational method for the calculation of rovibrational levels of any triatomic molecule
Molecular Physics
(2006)
49
745
(doi: 10.1080/00268978300101521)
Structure and thermodynamics of dilute liquid multicomponent systems
Molecular Physics
(2006)
67
367
(doi: 10.1080/00268978900101131)
Electric field-gradient-induced birefringence in N2, C2H6, C3H6, Cl2, N2O and CH3F
Molecular Physics
(2006)
49
703
(doi: 10.1080/00268978300101481)
The quadrupole moments of carbon dioxide and carbon disulphide
Molecular Physics
(2006)
43
1015
(doi: 10.1080/00268978100101831)
A potential energy surface for the ground state of CH2
Molecular Physics
(2006)
49
681
(doi: 10.1080/00268978300101461)
Determination of derivatives of the polarizability anisotropy in diatomic molecules
Molecular Physics
(2006)
43
1311
(doi: 10.1080/00268978100102081)
Molecular dynamics study of the dynamical properties of an assembly of infinitely thin hard rods
Molecular Physics
(2006)
49
503
(doi: 10.1080/00268978300101331)
Far infra-red laser magnetic resonance (LMR) spectra of SH and SD, (X2Π3/2)
Molecular Physics
(2006)
36
1005
(doi: 10.1080/00268977800102121)
Spin-orbit interactions from self consistent field wavefunctions
Molecular Physics
(2006)
80
479
(doi: 10.1080/00268979300102411)
DETERMINATION OF DERIVATIVES OF THE POLARIZABILITY ANISOTROPY IN DIATOMIC-MOLECULES .1. THEORETICAL CONSIDERATIONS ON VIBRATION-ROTATION RAMAN INTENSITIES
Molecular Physics
(2006)
43
963
(doi: 10.1080/00268978100101791)
Approximate relation between the melting of hard spheres and ellipsoidal platelets and needles
Molecular Physics
(2006)
54
145
(doi: 10.1080/00268978500100121)