$SYSTEM TIMLIM=MEMORY= $END $CONTRL SCFTYP=RHF RUNTYP=IRC MOLPLT=.T. UNITS=ANGSMULT=1 MAXIT=50 MPLEVL=2 $END $BASIS GBASIS=N31 NGAUSS=6 NDFUNC=1 NPFUNC=1 DIFFSP=.T. DIFFS=.T.

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AN INTRODUCTION TO QUANTUM CHEMISTRY Mark S. Gordon Iowa State University

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• Chemistry
• Quantum chemistry
• BornOppenheimer approximation
• Molecular Hamiltonian
• Atomic orbital
• Extended Hckel method
• BornHuang approximation
• HartreeFock method

ADVANCES IN ELECTRONIC STRUCTURE THEORY: GAMESS A DECADE LATER MARK S. GORDON AND MICHAEL W. SCHMIDT DEPARTMENT OF CHEMISTRY AND AMES LABORATORY, IOWA STATE UNIVERSITY, AMES, IA 50011

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http://msg.shrm.org/site/MessageViewer?dlv_id=112381&em_id=1072

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$CONTRL SCFTYP=RHF RUNTYP=ENERGY MPLEVL=2 UNITS=ANGSEXETYP=RUN MULT=1 MAXIT=50 $END $BASIS GBASIS=N31 NGAUSS=6 NDFUNC=1 $END $DATA 6-31G(D) SIH4CNV

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Warning: no access to tty; thus no job control in this shell... This is DQS job hcl4watGAMESS execution scriptThis job is running on host fe at Wed Nov 20 06:16:47 CST 1996 cp hcl4watsircf.inp /scr/ma

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南海所电话业务办理申请表 通信地址 电话号码

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$CONTRL SCFTYP=RHF RUNTYP=HESSIAN $END $BASIS GBASIS=STO NGAUSS=3 $END $DATA STO3G PLANAR NH3 DNH 3 N

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Microsoft Word - CSD10_Min_Msg

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• Trade blocs
• Americas
• Demography
• Survey methodology
• Human geography
• World
• Genealogy
• Caribbean Community
• Guyana
• CARICOM Single Market and Economy
• Official statistics
• Census

IntroductionDecemberGeneral Atomic and Molecular Electronic Structure System

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