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A New Publication is online

Posted by admin On September 21, 2010 ADD COMMENTS

A new paper has been accepted for publication and is now online on the Inorganic Chemistry website. The article “U and P4 Reaction Products: A Quantum Chemical and Matrix Isolation Spectroscopic Investigation” by Bess Vlaisavljevich, Laura Gagliardi, Xuefeng Wang, Binyong Liang, Lester Andrews and Ivan Infante, can be now accessed at DOI: 10.1021/ic100407e

New Website Feature

Posted by admin On September 16, 2010 ADD COMMENTS

Dear all, we added a new feature to our website. From now on, when a news is posted by anyone (also when the seminar list is changed), you will be notified with an email.
The subject of the email will be : [Kimika Teorikoa] and the Post title. While the sender will be : admin (or the user who has posted the news)
Do not confuse it with spam !
Cheers

Online Publication

Posted by matxain On September 16, 2010 ADD COMMENTS

We are pleased to inform you that our article, “Ab Initio Study of the Reaction Between Ni+ and SH2” has been published online on September 9th, in ChemPhysChem DOI: 10.1002/cphc.200901020.

Online publication

Posted by piris On September 16, 2010 ADD COMMENTS

We are pleased to inform you that our article, “Complete basis set limit extrapolation calculations with PNOF3” has been published online on September 16th, in Chemical Physics Letters: DOI: 10.1016/j.cplett.2010.09.004

Online publication

Posted by piris On September 16, 2010 ADD COMMENTS

We are pleased to inform you that our article, “Communication: The role of the positivity N-representability conditions in natural orbital functional theory,” has been published online on September 15th, in The Journal of Chemical Physics (Vol.133, Issue 11): DOI: 10.1063/1.3481578

New Seminar List

Posted by admin On September 10, 2010 ADD COMMENTS

A new season of seminars is going to begin in our group in october. Please find more detail in the seminar page.

Invited Seminar Talk

Posted by formoso On September 9, 2010 ADD COMMENTS

Elena has been invited to give a seminar talk (september 20) at the group of Prof. Michele Parrinelo in Lugano.

Uniqual Accreditance

Posted by matxain On September 1, 2010 ADD COMMENTS

Uniqual is the Basque Agency for Evaluation and Acreditation of the Basque University System. For the group members that would like to be accreditted by this Agency, notice that the process is changing, and that probably until October it will not be opened. For more information, look at:

http://www.uniqual.org/es

The web page is also in English, but it is not updated!