Markus Reiher


Ontology type: schema:Person     


Person Info

NAME

Markus

SURNAME

Reiher

Publications in SciGraph latest 50 shown

  • 2022-03-07 Prospects of quantum computing for molecular sciences in MATERIALS THEORY
  • 2022-01-13 Autonomous Reaction Network Exploration in Homogeneous and Heterogeneous Catalysis in TOPICS IN CATALYSIS
  • 2018-07-16 Capture and characterization of a reactive haem–carbenoid complex in an artificial metalloenzyme in NATURE CATALYSIS
  • 2016-10-25 Sequential Decoupling of Negative-Energy States in Douglas–Kroll–Hess Theory in HANDBOOK OF RELATIVISTIC QUANTUM CHEMISTRY
  • 2015-09-19 Sequential Decoupling of Negative-Energy States in Douglas–Kroll–Hess Theory in HANDBOOK OF RELATIVISTIC QUANTUM CHEMISTRY
  • 2014-07-02 Relativistic Quantum Theory of Many-Electron Systems in MANY-ELECTRON APPROACHES IN PHYSICS, CHEMISTRY AND MATHEMATICS
  • 2013-01-14 Toward an Inverse Approach for the Design of Small-Molecule Fixating Catalysts in MRS ADVANCES
  • 2012-01-07 Exact decoupling of the relativistic Fock operator in PERSPECTIVES ON THEORETICAL CHEMISTRY
  • 2012-01-07 Exact decoupling of the relativistic Fock operator in THEORETICAL CHEMISTRY ACCOUNTS
  • 2011-03-11 Mössbauer spectroscopy for heavy elements: a relativistic benchmark study of mercury in THEORETICAL CHEMISTRY ACCOUNTS
  • 2011-02-08 Electron Density in Quantum Theory in ELECTRON DENSITY AND CHEMICAL BONDING II
  • 2010-01-08 Relativistic effects on the Fukui function in THEORETICAL CHEMISTRY ACCOUNTS
  • 2008-08-19 Coordination and binding geometry of methyl-coenzyme M in the red1m state of methyl-coenzyme M reductase in JBIC JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY
  • 2006-10-28 First-Principles Approach to Vibrational Spectroscopy of Biomolecules in ATOMISTIC APPROACHES IN MODERN BIOLOGY
  • 2006-01-14 Douglas–Kroll–Hess Theory: a relativistic electrons-only theory for chemistry in THEORETICAL CHEMISTRY ACCOUNTS
  • 2005-07-14 Analysis of spin states, spin barriers, and trans-effects involved in the coordination and stabilization of dinitrogen by biomimetic iron complexes in THEORETICAL CHEMISTRY ACCOUNTS
  • 2004-09-09 A theoretical study of spin states in Ni-S4 complexes and models of the [NiFe] hydrogenase active site in JBIC JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY
  • 2003-11-01 Fluorescence kinetics of aqueous solutions of tetracycline and its complexes with Mg2+ and Ca2+ in PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES
  • 2003-05 The systems-theoretical view of chemical concepts in FOUNDATIONS OF CHEMISTRY
  • 2003-01 A Systems Theory for Chemistry in FOUNDATIONS OF CHEMISTRY
  • 2003 Structure, Energetics, and Spectroscopy of Models for Enzyme Cofactors in HIGH PERFORMANCE COMPUTING IN SCIENCE AND ENGINEERING, MUNICH 2002
  • 2001-12 Reparameterization of hybrid functionals based on energy differences of states of different multiplicity in THEORETICAL CHEMISTRY ACCOUNTS
  • 2001-11 Stabilization of diazene in Fe(II)–sulfur model complexes relevant for nitrogenase activity. I. A new approach to the evaluation of intramolecular hydrogen bond energies in THEORETICAL CHEMISTRY ACCOUNTS
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