Výsledky vyhledávání - "Dean H. Liskow"

Potential energy surfaces related to the ion‐molecule reaction C+ + H2

Autor: Henry F. Schaefer, Charles F. Bender, Dean H. Liskow

Publikováno v: The Journal of Chemical Physics. 61:2507-2513

The C+ + H2 ion‐molecule reaction has been studied by several experimental groups and appears likely to become the focal point of much experimental and theoretical activity. Ab initio self‐consistent‐field and configuration interaction calculat

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::26f69c078fc709d5396dc3f19be08bb1
https://doi.org/10.1063/1.1682370

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Sign of the dipole moment and other properties of methylsilane

Autor: Dean H. Liskow, Henry F. Schaefer

Publikováno v: Journal of the American Chemical Society. 94:6641-6644

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::2b64c0fa666fef37247072b410b59677
https://doi.org/10.1021/ja00774a012

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Use of nonrelativistic wavefunctions for the prediction of properties of molecules containing atoms of high Z. PbO as a test case

Autor: A. D. McLean, M. Yoshimine, Bowen Liu, Gretchen M. Schwenzer, Dean H. Liskow, Henry F. Schaefer, Paul S. Bagus

Publikováno v: The Journal of Chemical Physics. 58:3181-3184

Using a minimum basis set of Slater functions, nonrelativistic self‐consistent‐field calculations have been carried out for the lead monoxide molecule. The purpose of the calculations was to provide an indirect test of the importance of relativis

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::980d76d88e5c0bb72df736869736c0f4
https://doi.org/10.1063/1.1679639

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Bending Frequency of the C3 Molecule

Autor: Dean H. Liskow, Henry F. Schaefer, Charles F. Bender

Publikováno v: The Journal of Chemical Physics. 56:5075-5080

Ab initio calculations have been carried out to determine a potential curve for the bending motion of C3. The work was in part motivated by the disagreement between theoretical and experimental values of the entropy of C3. Three basis sets were used,

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::bfe4c4b88c71cfa9c25bec916177245b
https://doi.org/10.1063/1.1676990

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Some Features of the CH3NC→CH3CN Potential Surface

Autor: Charles F. Bender, Dean H. Liskow, Henry F. Schaefer

Publikováno v: The Journal of Chemical Physics. 57:4509-4511

Nonempirical self‐consistent‐field calculations are reported for about 75 points on the potential surface for the CH3NC→CH3CN isomerization. Due to interest in the possible non‐RRKM behavior of CH3NC, the magnitude of the barrier to rotation

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::563b0395c1eb4dab8ec5516f000eb6a1
https://doi.org/10.1063/1.1678107

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MODEL STUDIES OF CHEMISORPTION, INTERACTION BETWEEN ATOMIC HYDROGEN AND BERYLLIUM CLUSTERS

Autor: Henry F. Schaefer, Dean H. Liskow, Charles F. Bender, Charles W. Bauschlicher

Publikováno v: Bauschlicher, Charles W.; Liskow, Dean H.; Bender, Charles F.; & Schaefer, Henry P.(1975). MODEL STUDIES OF CHEMISORPTION, INTERACTION BETWEEN ATOMIC HYDROGEN AND BERYLLIUM CLUSTERS. Lawrence Berkeley National Laboratory: Lawrence Berkeley National Laboratory. Retrieved from: http://www.escholarship.org/uc/item/2mr4m88q

The interaction between hydrogen atoms and Be metal clusters has been studied by ab initio electronic structure theory. Self‐consistent‐field (SCF) calculations have been carried out using both minimum and larger basis sets of contracted Gaussian

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6a16310417bec0a101ed798b7e48eb57
http://www.escholarship.org/uc/item/2mr4m88q

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