AMBER Archive (2009)

Subject: Re: [AMBER] to understand multiplicity in antechamber

From: Alan (alanwilter_at_gmail.com)
Date: Fri Mar 13 2009 - 17:43:28 CDT


Thanks a lot Scott. I indeed tried google, but wikipedia link simply
answered my question with your help.
Alan

On Fri, Mar 13, 2009 at 19:05, Scott Brozell <sbrozell_at_scripps.edu> wrote:

> 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
>
>
> _______________________________________________
> AMBER mailing list
> AMBER_at_ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>

-- 
Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.
>>http://www.bio.cam.ac.uk/~awd28<<
_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber