articleComputational Materials ScienceSep 16, 2003Closed access

MOLCAS: a program package for computational chemistry

GKGunnar KarlströmRLRoland LindhPMPer‐Åke MalmqvistBOBjörn O. RoosURUlf Ryde

Institute of Theoretical Physics · University of Naples Federico II · +5 more institutions

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1,746
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Topics & keywords

Topics
Keywords
  • Electronic structure
  • Excited state
  • Quantum chemistry
  • Chemistry
  • Molecular dynamics
  • Statistical physics
  • Chemical physics
  • Quantum
UN Sustainable Development Goals
  • Affordable and clean energy
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