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The Beginner MolCAS User Manual The Beginner MoICAS User Manual www teokem lu se molcas by Giovanni Ghigo www personalweb unito it giovanni ghigo Mol CAS molcas home html Dipartimento di Chimica Generale e Chimica Organica Universit di Torino E Mail giovanni ghigo unito it Version 26 March 2008 The beginner s MoICAS user Manual Version 19 March 2008 1 Introduction please read it it s short 2 Your first MoICAS calculation the HF energy of methanol 3 And your second one the DFT |
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