Re: [AMBER] to understand multiplicity in antechamber

From: Scott Brozell <sbrozell.scripps.edu>
Date: Fri, 13 Mar 2009 19:05:06 +0000

Hi,

On Fri, 13 Mar 2009, Alan wrote:

> Hi there,
> Could someone here point me to a more elaborated explanation of what
> multiplicity means to antechamber and what this "(2S+1)" means?
>
> Would 'S' stands for singlet: 0 unpaired electrons, double: 1 unpaired
> electrons and so on?

No.
http://en.wikipedia.org/wiki/Multiplicity_(chemistry)

http://books.google.com/books?id=MxdxGPk-LqoC&dq=herzberg+atomic+spectra&printsec=frontcover&source=bl&ots=TtmNhglQF3&sig=XrDxmtAypRguwwsMkqqRGK4MhpA&hl=en&ei=AKy6SeWOKYmMsAO_14Q3&sa=X&oi=book_result&resnum=2&ct=result#PPR7,M1

http://nobelprize.org/nobel_prizes/chemistry/laureates/1971/herzberg-bio.html

Scott


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Received on Sun Mar 15 2009 - 01:11:08 PDT