MOLCAS version 8 0 User s Manual Neas Lund University 2014 ii Contents I II Introduction Introduction to Molcas 1 1 MonLcas Quantum Chemistry Software 02 0000 5 12 The MOLGAS Mantial a sacos daa 8434405 wed a ed ee ee Rs 1 3 New features and updates lt o ccs coce g aceri na b a r aa g 1 4 Parallellization efforts for MOLCAS modules aoaaa aae U5 Acknowledgment oos sa toa ee aa ee ea eee Da ee koh eG a RAS 1 6 Citation for MOLCA
MOLCAS version 7 4 User s Manual Neas Lund University 2009 ii Contents 1 Introduction to MOLCAS 1 1 MOLCAS a quantum chemistry software 1 2 The MOLCAS Manuals 1 3 MOLCAS 7 new featuresandupdates LA lt Acknowledpiment p eg rarr o sk tae ek ge BE ee eae eR ee Eh ee ee 1 5 Citation for MOLCAS sne gorog eden eRe Ske AG Se Gh EY Re Re Ee Bas 1 6 Web addresses mopon amp ae Mah GAg
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