Journal Article (5004)
4501.
Journal Article
17 (1), pp. 87 - 108 (1996)
Semiempirical treatment of electrostatic potentials and partial charges in combined quantum mechanical and molecular mechanical approaches. Journal of Computational Chemistry 4502.
Journal Article
100 (2), pp. 616 - 626 (1996)
Extension of MNDO to d Orbitals: Parameters and Results for the Second-Row Elements and for the Zinc Group. The Journal of Physical Chemistry 4503.
Journal Article
248 (1-2), pp. 116 - 120 (1996)
Electronic structures, geometries, and energetics of highly charged cations of the C60 fullerene. Chemical Physics Letters 4504.
Journal Article
8 (1), pp. 65 - 69 (1996)
Chromophore-zeotype composites: Direct synthesis of an array of strictly aligned metal-organic complex chromophores in a crystalline silica matrix. Advanced Materials 4505.
Journal Article
118 (26), pp. 6307 - 6308 (1996)
[Hydrotris(1,2,4-triazolyl)borato]silver(I): Structure and Optical Properties of a Coordination Polymer Constructed from a Modified Poly(pyrazolyl)borate Ligand. Journal of the American Chemical Society 4506.
Journal Article
16 (1), pp. 65 - 69 (1996)
One-dimensional phase transition of dipolar molecules inside zeolite pores. Zeolites 4507.
Journal Article
276 (1-2), pp. 295 - 304 (1996)
Dipole Chains in Zeolite Pores: The Effects of Symmetry Breaking. Molecular Crystals and Liquid Crystals Science and Technology Section A-Molecular Crystals and Liquid Crystals 4508.
Journal Article
100 (5), pp. 1698 - 1704 (1996)
Structure of Dipole Chains in an MFI Type Molecular Sieve. The Journal of Physical Chemistry 4509.
Journal Article
247 (4-6), pp. 491 - 493 (1995)
A density functional study on the shape of C180 and C240 fullerenes. Chemical Physics Letters 4510.
Journal Article
11 (12), pp. 4765 - 4772 (1995)
Capillary Hysteresis in Nanopores: Theoretical and Experimental Studies of Nitrogen Adsorption on MCM-41. Langmuir 4511.
Journal Article
717 (1-2), pp. 117 - 125 (1995)
Determination of styrene oxide adducts in DNA and DNA components. Journal of Chromatography A 4512.
Journal Article
99 (11), pp. 1306 - 1315 (1995)
Surface Properties and Catalytic Performance of Novel Mesostructured Oxides. Berichte der Bunsen-Gesellschaft für Physikalische Chemie 4513.
Journal Article
51 (41), pp. 11165 - 11176 (1995)
Palladium-Catalyzed Arylation of Polar Organometallics Mediated by 9-Methoxy-9-Borabicyclo[3.3.1]nonane: Suzuki Reactions of Extended Scope. Tetrahedron 4514.
Journal Article
117 (40), pp. 10113 - 10-118 (1995)
Can Large Fullerenes Be Spherical? Journal of the American Chemical Society 4515.
Journal Article
60 (20), pp. 6637 - 6641 (1995)
A New, Titanium-Mediated Approach to Pyrroles: First Synthesis of Lukianol A and Lamellarin 0 Dimethyl Ether. Journal of Organic Chemistry 4516.
Journal Article
1995 (9), pp. 1697 - 1698 (1995)
An unexpected product in attempted [4 + 2] cycloadditions of 2,2-diethyl-4,5-dimethyl-2H-imidazole. Liebigs Annalen 4517.
Journal Article
51 (32), pp. 8875 - 8888 (1995)
Unprecedented McMurry Reactions with Acylsilanes: Enedisilane Formation versus Brook Rearrangement. Tetrahedron 4518.
Journal Article
128 (8), pp. 807 - 815 (1995)
The Molecular Structures and Conformations of Bis(dichlorosilyl)amine and Bis(dichlorosilyl)methylamine in the Gas Phase: Determination by Electron Diffraction and by ab Initio Calculations. Chemische Berichte 4519.
Journal Article
72 (6), pp. 505 - 508 (1995)
Multipoles and Symmetry. Journal of Chemical Education 4520.
Journal Article
51 (3), pp. 328 - 337 (1995)
Experimental and theoretical determination of electronic properties in L-dopa. Acta Crystallographica Section B