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The Gas-Phase Route from Cp*2P6 to Neutral Hexaphosphorus
(2002)Chemistry - A European JournalJournal Article -
Estimation of the Vibrational Contribution to the Entropy Change Associated with the Low- to High-Spin Transition in Fe(phen)2(NCS)2 Complexes: Results Obtained by IR and Raman Spectroscopy and DFT Calculations
(2002)The Journal of Physical Chemistry AJournal Article -
Binding N2, N2H2, N2H4, and NH3 to Transition-Metal Sulfur Sites: Modeling Potential Intermediates of Biological N2 Fixation
(2004)Chemistry - A European JournalJournal Article -
Tetracycline and Derivatives - Assignment of IR and Raman Spectra via DFT Calculations
(2003)Physical Chemistry Chemical PhysicsJournal Article -
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Combined Spectroscopic and Theoretical Evidence for a Persistent End-On Copper Superoxo Complex
(2004)Angewandte Chemie. International EditionJournal Article -
Numerical electronic structure calculations for atoms. II. Generalized variable transformation and relativistic calculations
(2000)International journal of quantum chemistryJournal Article