+ Visit NASA.gov + Contact NASA   + Home Select Search Field * All Report - Patent Number Abstract *Accession Number *NASA Center *Author NameDocument IDKeywordsPublication Date *Title * Find Results With All of the words At least one of the words Enter Search Term  within returned results    Search Tips: Use only the fields with * to search NIX collection. Enclose terms in double quotation marks (") to search for exact phrases, ie: "space shuttle". NOTE: Commas and dashes are removed from search term by search engine. Select Reset Search button to start a new search. See Help for more tips. + NASA Center + Publication Year + Subject + Availability Options + Item/Media Type Selected Navigations: Author > Bauschlicher, C. W., Jr. [x] Sort results by: NASA Center | Date Added to NTRS | Publication Year There are a total of 89 record(s) matching your query. Sorted by: Date Added To NTRS in Descending order Prev 1 2 3 4 5 6 7 8 9 Next  Theoretical study of the spin-orbit coupling constants of C/2p/3Pi u, d/3p/3Pi u, k/4p/3Pi u, i/3d/3Pi g, r/4d/3Pi g, j/3d/3Delta g, and /4f/3 Delta u states of H2 Author(s): Langhoff, S. R.; Huo, W. M.; Partridge, H.; Bauschlicher, C. W., Jr. Abstract: No Abstract Available NASA Center: Ames Research Center Publication Year: 1982 Added to NTRS: 2004-11-03 Accession Number: 82A42023; Document ID: 19820058488 p(2 x 2) and c(2 x 2) coverages of Cl and F on Ni(100), a comparison with O and S on Ni(100) Author(s): Bauschlicher, C. W., Jr. Abstract: The rigid lattice adsorbate vibrational frequency normal to the surface, omega(e,r) and height above the surface, R(transverse), are computed for p(2 x 2) (0.25 ML) and c(2 x 2) (0.5 ML) coverages of Cl and F. These ... NASA Center: Ames Research Center Publication Year: 1985 Added to NTRS: 2004-11-03 Accession Number: 85A48486; Document ID: 19850066335 On the low lying singlet states of BeO Author(s): Bauschlicher, C. W., Jr.; Lengsfield, B. H.; Yarkony, D. R. Abstract: Calculations of the ground and low-lying singlet states of BeO are performed in order to gain an understanding of the techniques needed to treat the excited states of other, more complex, ionic molecules. The MCSCF and CI ... NASA Center: Langley Research Center Publication Year: 1980 Added to NTRS: 2004-11-03 Accession Number: 81A17766; Document ID: 19810033362 Theoretical evidence for multiple one-electron 3d bonding in a first row transition metal dimer - The 5 Sigma u -state of Sc2 Author(s): Walch, S. P.; Bauschlicher, C. W., Jr. Abstract: No Abstract Available NASA Center: Ames Research Center Publication Year: 1983 Added to NTRS: 2004-11-03 Accession Number: 83A48799; Document ID: 19830067581 Theoretical dipole moments for the first-row transition metal hydrides Author(s): Chong, D. P.; Langhoff, S. R.; Bauschlicher, C. W., Jr.; Partridge, H.; Walch, S. P. Abstract: Spectroscopic parameters (D sub e, r sub e, mu) are determined for the first-row transition metal hydrides using better than DZP basis sets at the modified coupled pair functional (MCPF) level. Extensive comparisons between ... NASA Center: Ames Research Center Publication Year: 1986 Added to NTRS: 2004-11-03 Accession Number: 87A14211; Document ID: 19870026937 Theoretical study of the X 2Pi and A 2Sigma() states of CuO and CuS Author(s): Langhoff, S. R.; Bauschlicher, C. W., Jr. Abstract: Theoretical spectroscopic constants and dipole moments are determined for the X 2Pi and A 2Sigma() states of CuO and CuS, using extended Gaussian basis sets and incorporating correlation using both configuration interaction ... NASA Center: Ames Research Center Publication Year: 1986 Added to NTRS: 2004-11-03 Accession Number: 86A45262; Document ID: 19860060524 On 3d bonding in the transition metal trimers - The electronic structure of equilateral triangle Ca3, Sc3, Sc3(), and Ti3() Author(s): Walch, S. P.; Bauschlicher, C. W., Jr. Abstract: It is pointed out that transition metals and transition metal (TM) compounds are currently of considerable interest because of their relevance to catalysis and to materials science problems such as hydrogen embrittlement and ... NASA Center: Ames Research Center Publication Year: 1985 Added to NTRS: 2004-11-03 Accession Number: 86A17669; Document ID: 19860032931 Chemisorption of O and H on an Al-13 cluster Author(s): Patridge, H.; Bauschlicher, C. W., Jr. Abstract: Chemisorption of oxygen and hydrogen atoms onto a 13 atom aluminum cluster is investigated theoretically. Oxygen atoms are found to remain on the outside of the cluster, and at low coverage, to expand the Al-Al bond length ... NASA Center: Ames Research Center Publication Year: 1986 Added to NTRS: 2004-11-03 Accession Number: 86A38637; Document ID: 19860053899 Theoretical electric quadrupole transition probabilities for Ca, Sr and Ba Author(s): Bauschlicher, C. W., Jr.; Langhoff, S. R.; Jaffe, R. L.; Partridge, H. Abstract: The 1D-1S quadrupole transition probabilities for Ca, Sr and Ba have been computed using extended GTO and STO valence basis sets and configuration-interaction wavefunctions that include the important core-valence correlation ... NASA Center: Ames Research Center Publication Year: 1984 Added to NTRS: 2004-11-03 Accession Number: 84A42691; Document ID: 19840059904 Theoretical study of the low-lying electronic states of ZnO and ZnS Author(s): Bauschlicher, C. W., Jr.; Langhoff, S. R. Abstract: Theoretical spectroscopic constants and dipole moments are determined for the 1 Sigma(), 1,3 Pi, and 3 Sigma() states of ZnO and ZnS, using extended Gaussian basis sets and incorporating correlation using both ... NASA Center: Ames Research Center Publication Year: 1986 Added to NTRS: 2004-11-03 Accession Number: 87A14659; Document ID: 19870027385 Prev 1 2 3 4 5 6 7 8 9 Next  + Back to Top + Sponsored by the NASA Scientific and Technical    Information Program + 2004 Vision for Space Exploration + Freedom of Information Act + NASA Web Privacy Policy and Important Notices + NASA Disclaimers, Copyright Notice,    and Terms and Conditions of Use NASA Official: Calvin Mackey Page Curator: NASA Center for AeroSpace Information (help@sti.nasa.gov) Last Updated: July 5, 2007