Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

How to find electronic orbitals and configurations in NBO output

Let us assume you have successfully obtained a wavefiinction and NBO analysis for a fluorine atom, for example, with a Gaussian/NB05 input file of the form [Pg.23]

You should first look in the output file for the starting NBO banner as shown in 1/0-2.1. [Pg.23]

Carpcncer. J. A. Dohtnojinp C. H. HoraleSj iuid F. Heinfaold CTheoritical Chemistry InstltutBi Univeriity of wiacoaain, [Pg.23]

Medieerip wIh 200I) heLp //vww.ehcn.vise.edu/-nbo5 [Pg.23]

Immediately below is the NATURAL POPULATIONS table of Natural Atomic Orbital (NAO) labels and occupancies (I/0-2.2). [Pg.23]

See other pages where How to find electronic orbitals and configurations in NBO output is mentioned: [Pg.23]    [Pg.23]    [Pg.25]    [Pg.27]   


SEARCH



Electron configuration and

Electron configuration orbitals

Electron orbitals

Electron, orbiting

Electronic configuration orbitals

Findings in

Orbital configurations

Orbital electron configuration and

Orbital electrons

Orbitals electrons and

To find

© 2024 chempedia.info