Search Results - "Tilson, J. L."

Parallel spin-orbit coupled configuration interaction by Tilson, J.L., Ermler, W.C., Pitzer, R.M.

“…A parallel spin-orbit configuration interaction (SOCI) code has been developed. This code, named P-SOCI, is an extension of an existing sequential SOCI program…”
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Electronic and geometric structures of various products of the Sc+ + H2O reaction by TILSON, J. L, HARRISON, J. F

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Three-body effects in hydrogen fluoride: survey of potential energy surfaces by Wierzchowski, S. J., Fang, Z. H., Kofke, D. A., Tilson, J. L.

“…The potential energy surface for trimers of hydrogen fluoride is examined for multiple arrangements of the three-molecule cluster. Several established…”
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Electronic and geometric structures of various products of the scandium+ + water reaction by Tilson, J. L, Harrison, J. F

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The Subspace Projected Approximate Matrix (SPAM) Modification of the Davidson Method by Shepard, Ron, Wagner, Albert F., Tilson, Jeffrey L., Minkoff, Michael

“…A modification of the iterative matrix diagonalization method of Davidson is presented that is applicable to the symmetric eigenvalue problem. This method is…”
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Electronic and geometric structures of various products of the Sc+ + H2S reaction by TILSON, J. L, HARRISON, J. F

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Massively Parallel Self-Consistent-Field Calculations by Tilson, Jeffrey L

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Electronic and Geometric Structures of +ScSe and +ScSeH by Tilson, J. L, Harrison, J. F

“…The [sup +]ScSe and [sup +]ScSeh molecules were investigated by determining the multiconfiguration self-consistent field (MCSCF) and configuration interaction…”
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Electronic and geometric structures of various products of the scandium(1+) + hydrogen sulfide reaction by Tilson, J. L, Harrison, J. F

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Electronic and geometric structures of various products of the scandium+ + water reaction [Erratum to document cited in CA115(4):35894q] by Tilson, J. L, Harrison, J. F

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Parallel spin-orbit coupled configuration interaction: Parallel computing in chemical physics by TILSON, J. L, ERMLER, W. C, PITZER, R. M

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The Structure of Dilute Clusters of Methane and Water by ab Initio Quantum Mechanical Calculations by Ruckenstein, Eli, Shulgin, Ivan L, Tilson, Jeffrey L

“…Ab initio quantum mechanical methods have been used to examine clusters formed of molecules of methane and water. The clusters contained one molecule of one…”
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MotifNetwork: A Grid-enabled Workflow for High-throughput Domain Analysis of Biological Sequences: Implications for annotation and study of phylogeny, protein interactions, and intraspecies variation by Tilson, J.L., Rendon, G., Mao-Feng Ger, Jakobsson, E.

“…Traditionally, bioinformatics has been organized around the concepts of genes and gene products, typically proteins. Proteins are represented as sequences of…”
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MotifNetwork: Genome-Wide Domain Analysis using Grid-enabled Workflows by Tilson, J.L., Blatecky, A., Rendon, G., Mao-Feng Ger, Jakobsson, E.

“…It has been recently demonstrated that the understanding of gene interactions, gene function and ultimately gene and organism evolutionary processes, is…”
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