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Is i source code available for end users to have a chance to add features. Any plans to open source it?
Q&A|Closed | Responses: 0
https://nanohub.org/answers/question/1741
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What is CNDO in Plain English?
Q&A|Open | Responses: 1
I’m interested in learning more about nanoHUB tools that can be used by Freshmen chemistry students, but I am not familiar with the specialized jargon used in the current CNDO description....
https://nanohub.org/answers/question/578
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Absorption of Beta-Carotene and E levels
Q&A|Closed | Responses: 1
How is the absorption spectrum for beta-carotene calculated, and how does it relate to the MO diagram? The energy difference between HOMO and LUMO levels (Eg) is shown to be...
https://nanohub.org/answers/question/2448
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Baudilio Tejerina
Since November 2004, Baudilio Tejerina manages the computer facilities of the Theory Group in the Department of Chemistry at Northwestern University. After receiving his PhD in Physical Chemistry...
https://nanohub.org/members/8744
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Optical and Thermodynamic properties of noble metal nanoparticles. Effect of chemical functionalization.
06 May 2009 | Contributor(s):: Baudilio Tejerina, George C. Schatz
This laboratory is intended to introduce the student to the use of semiempirical electronic structure methods. In particular, the semiempirical methods will be applied to the study of metallic clusters and the interaction of the clusters with molecules such as pyridine. The reactivity of the...