Theoretical studies of chemisorption

Theoretical studies of chemisorption

PART A: GVB and GVB-Cl wavefunctions (using a double zeta basis) have been obtained as a function of internuclear distance for the lowest three states of NiCO. The wavefunctions lead to a qualitative description in which the Ni atom is neutral with a (4s)^1(3d)^9 atomic configuration. The CO lone p...

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Bibliographic Details
Main Author: Walch, Stephen Perry
Format: Others
Published: 1977
Online Access:https://thesis.library.caltech.edu/5361/1/Walch_sp_1977.pdf
Walch, Stephen Perry (1977) Theoretical studies of chemisorption. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/TDQT-V666. https://resolver.caltech.edu/CaltechTHESIS:11092009-084139276 <https://resolver.caltech.edu/CaltechTHESIS:11092009-084139276>

Internet

https://thesis.library.caltech.edu/5361/1/Walch_sp_1977.pdf
Walch, Stephen Perry (1977) Theoretical studies of chemisorption. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/TDQT-V666. https://resolver.caltech.edu/CaltechTHESIS:11092009-084139276 <https://resolver.caltech.edu/CaltechTHESIS:11092009-084139276>

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