Zobrazeno 1 - 10
of 13
pro vyhledávání: '"Eugene D. Fleischmann"'
Autor:
Witold Tomasik, Richard N. Loeppky, Eugene D. Fleischmann, John E. Adams, Tuck C. Wong, Elmer O. Schlemper
Publikováno v:
Journal of the American Chemical Society. 110(18)
Publikováno v:
ChemInform. 22
Publikováno v:
ChemInform. 22
Publikováno v:
Journal of the American Chemical Society. 113:4751-4755
Publikováno v:
The Journal of Chemical Physics. 94:3730-3734
The results of ab initio electronic structure calculations on the C60 cage and its endohedral (‘‘inside‐the‐cage’’) complexes with F−, Ne, Na+, Mg2+, and Al3+ are presented. Placing the ions at the center of the cage results in a net st
Publikováno v:
Journal of the American Chemical Society. 113:1086-1089
Publikováno v:
Journal of the American Chemical Society. 113:64-67
A new molecular similarity index, called the number of overlapping electrons (NOEL), is proposed. This similarity index can be computed very rapidly from the natural orbitals and their occupation numbers of the molecules under comparison. The low com
Publikováno v:
Chemical Physics Letters. 168:265-268
Reaction of formaldehyde and hydrogen peroxide in the presence of alkali (the Blank-Finkenbeiner reaction) involves a reactive intermediate, peroxydimethoxyl dianion (PDMDA). The HF/6-31++G ** and MP2/6-31++G ** molecular orbital calculations on PDMD
Publikováno v:
The Journal of Physical Chemistry. 94:1847-1850
Publikováno v:
Bioinformatics, Supercomputing and Complex Genome Analysis.
In the interest of providing more efficient computer-based analysis of DNA and protein sequences, Cray Research has developed a high performance implementation of the sequence alignment method of Needleman and Wunsch using the programming technique o