Zobrazeno 1 - 10
of 114
pro vyhledávání: '"RALPH E. CHRISTOFFERSEN"'
Autor:
Veerabahu Shanmugasundaram, Jürgen Bajorath, Ralph E. Christoffersen, James D. Petke, W. Jeffrey Howe, Mark A. Johnson, Dimitris K. Agrafiotis, Pil Lee, Leslie A. Kuhn, Jay T. Goodwin, M. Katharine Holloway, Thompson N. Doman, W. Patrick Walters, Suzanne Schreyer, José L. Medina-Franco, Karina Martinez-Mayorga, Linda L. Restifo
Publikováno v:
Journal of Computer-Aided Molecular Design. 36:623-638
Publikováno v:
International Journal of Quantum Chemistry. 22:157-171
Empirical potential function calculations were carried out in order to investigate, in detail, the molecular structural characteristics of the C2-symmetric chlorophyll special-pair dimer proposed by Boxer and Closs and Shipman et al. as a model of P7
Publikováno v:
International Journal of Quantum Chemistry. 5:143-149
Publikováno v:
International Journal of Quantum Chemistry. 10:119-133
An analysis of the electronic charge distributions of porphine and chlorin, their magnesium-substituted analogs, and ethyl chlorophyllide a has been carried out, using point-charge and symmetrically orthogonalized representations of ab initio molecul
Autor:
Ralph E. Christoffersen
Publikováno v:
International Journal of Quantum Chemistry. 7:169-179
An ab initio procedure (the molecular fragment method) has been applied to the determination of the electronic structure of anthracene and phenanthrene. Both total energy and molecular orbital structure are examined, and the results are compared with
Autor:
Ralph E. Christoffersen, Dale Spangler
Publikováno v:
International Journal of Quantum Chemistry. 14:127-135
In order to allow development of a range of basis sets for use of floating spherical Gaussian orbitals in molecular calculations, an analysis of numerical errors that result from using off-center functions was carried out. This analysis included both
Autor:
Ralph E. Christoffersen
New textbooks at all levels of chemistry appear with great regularity. Some fields like basic biochemistry, organic reaction mechanisms, and chemical thermody namics are well represented by many excellent texts, and new or revised editions are publ
Autor:
Ralph E. Christoffersen
Publikováno v:
Nature Biotechnology. 24:1512-1514
Antibiotics markets are huge and the need for new classes of antibiotics is great, but the risks give investors pause.
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 311:273-284
Ribozymes are RNA molecules that act enzymatically to cleave other RNA molecules. The cleavage reaction requires the binding of ribozyme to specific sites on the target RNA through (mostly) Watson-Crick base-pairing interactions. Association of riboz
Publikováno v:
The Journal of Physical Chemistry. 96:6992-7001
The electronic singlet and triplet states and singlet-singlet absorption spectra of uracil and cytosine have been calculated with ab initio multireference configuration interaction (MRCI) and random-phase approximation (RPA) procedures. The calculati