Frank Neese

Frank Neese
Born (1967-12-13) 13 December 1967 (age 56)
Wiesbaden, Germany
NationalityGerman
Alma materUniversity of Konstanz
Scientific career
FieldsTheoretical Chemistry, Quantum Chemistry, Spectroscopy
InstitutionsMax Planck Institute for Coal Research

University of Bonn
Max Planck Institute for Chemical Energy Conversion

University of Duisburg-Essen
Doctoral advisorPeter M. Kroneck
Other academic advisorsEdward I. Solomon
Websitewww.kofo.mpg.de/en/research/molecular-theory-and-spectroscopy

Frank Neese is a German theoretical chemist at the Max Planck Institute for Coal Research.[1] He is the author of more than 440 scientific articles in journals of Chemistry, Biochemistry and Physics. His work focuses on the theory of magnetic spectroscopies (electron paramagnetic resonance, magnetic circular dichroism) and their experimental and theoretical application, local pair natural orbital correlation theories, spectroscopy oriented configuration interaction, electronic and geometric structure and reactivity of transition metal complexes and metalloenzymes. He is lead author of the ORCA quantum chemistry computer program.[2] His methods have been applied to a range of problems in coordination chemistry, homogeneous catalysis, and bioinorganic chemistry.[3][4]

  1. ^ "Molecular Theory and Spectroscopy". www.kofo.mpg.de. Retrieved 16 December 2021.
  2. ^ Neese, Frank (2012). "The ORCA program system". WIREs Computational Molecular Science. 2: 73–78. doi:10.1002/wcms.81. S2CID 62137389.
  3. ^ Neese, Frank (2009). "Prediction of molecular properties and molecular spectroscopy with density functional theory: From fundamental theory to exchange-coupling". Coordination Chemistry Reviews. 253 (5–6): 526–563. doi:10.1016/j.ccr.2008.05.014.
  4. ^ Cox, Nicholas; Pantazis, Dimitrios A.; Neese, Frank; Lubitz, Wolfgang (2013). "Biological Water Oxidation". Accounts of Chemical Research. 46 (7): 1588–1596. doi:10.1021/ar3003249. PMID 23506074.