Markus Reiher German-Swiss chemist and professor at ETH Zurich
Reiher, Markus.
Reiher, Markus, 1971-....
VIAF ID: 70002055 (Personal)
Permalink: http://viaf.org/viaf/70002055
Preferred Forms
- 100 0 _ ‡a Markus Reiher ‡c German-Swiss chemist and professor at ETH Zurich
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- 100 1 _ ‡a Reiher, Markus
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- 100 1 _ ‡a Reiher, Markus
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- 100 1 _ ‡a Reiher, Markus ‡d 1971-
- 100 1 _ ‡a Reiher, Markus ‡d 1971-
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- 100 1 _ ‡a Reiher, Markus, ‡d 1971-....
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4xx's: Alternate Name Forms (3)
5xx's: Related Names (5)
- 510 2 _ ‡a Eidgenössische Technische Hochschule Zürich ‡4 affi ‡4 https://d-nb.info/standards/elementset/gnd#affiliation ‡e Affiliation
- 510 2 _ ‡a Erlangen
- 510 2 _ ‡a John Wiley & Sons
- 551 _ _ ‡a Paderborn ‡4 ortg ‡4 https://d-nb.info/standards/elementset/gnd#placeOfBirth
- 510 2 _ ‡a Technische Hochschule Zürich
Works
Title | Sources |
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Adaptive algorithms for computational chemistry and interactive modeling | |
Algorithmes adaptatifs pour la chimie numérique et la modélisation interactive. | |
Atomistic approaches in modern biology : from quantum chemistry to molecular simulations | |
Local relativistic exact decoupling. | |
Local spin analysis and chemical bonding | |
Measuring multi-configurational character by orbital entanglement | |
Mechanism Deduction from Noisy Chemical Reaction Networks | |
Mechanistic Consequences of Chelate Ligand Stabilization on Nitrogen Fixation by Yandulov–Schrock-Type Complexes | |
Metal thiolate complexes binding molecular nitrogen under mild conditions: [μ-N2{Ru(PiPr3)(N2Me2S2)}2], the first dinuclear example | |
Milde Stickstofffixierung:Was sagt die Theorie? | |
Minimum Energy Paths and Transition States by Curve Optimization. | |
Mode-tracking based stationary-point optimization. | |
MOLCAS 7: the next generation | |
Molcas8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table | |
Molecular Propensity as a Driver for Explorative Reactivity Studies. | |
Molecular structure calculations: a unified quantum mechanical description of electrons and nuclei using explicitly correlated Gaussian functions and the global vector representation. | |
Mössbauer spectroscopy for heavy elements: a relativistic benchmark study of mercury | |
Multiconfigurational Effects in Theoretical Resonance Raman Spectra | |
Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group | |
New Approaches for ab initio Calculations of Molecules with Strong Electron Correlation | |
New Benchmark Set of Transition-Metal Coordination Reactions for the Assessment of Density Functionals | |
New electron correlation theories for transition metal chemistry | |
New methods: general discussion. | |
Nitrogen Fixation under Mild Ambient Conditions: Part I—The Initial Dissociation/Association Step at Molybdenum Triamidoamine Complexes | |
Nitrous Oxide as a Hydrogen Acceptor for the Dehydrogenative Coupling of Alcohols | |
A Nonorthogonal State-Interaction Approach for Matrix Product State Wave Functions. | |
Nuclear Quadrupole Moment of119Sn | |
On the emergence of molecular structure | |
OpenMolcas: From Source Code to Insight | |
Optimized unrestricted Kohn-Sham potentials from ab initio spin densities | |
Orbital entanglement and CASSCF analysis of the Ru-NO bond in a Ruthenium nitrosyl complex | |
Orbital Entanglement in Bond-Formation Processes | |
Organofluorosilanes as model compounds for 18F-labeled silicon-based PET tracers and their hydrolytic stability: experimental data and theoretical calculations (PET = positron emission tomography). | |
Oxygen Coordination to the Active Site of Hmd in Relation to [FeFe] Hydrogenase | |
Prediction of Raman Optical Activity Spectra of Chiral 3-Acetylcamphorato-Cobalt Complexes | |
Predictors for gases of high electrical strength | |
Properties of WAu12 | |
QM/MM vibrational mode tracking | |
Quantum Chemical Calculation of Raman Intensities for Large Molecules: The Photoisomerization of [{Fe‘S4’(PR3)}2(N2H2)] (‘S4’2−= 1,2-bis(2-Mercaptophenylthio)-Ethane(2−)) | |
Quantum chemical calculation of vibrational spectra of large molecules?Raman and IR spectra for Buckminsterfullerene | |
QUANTUM CHEMICAL INVESTIGATIONS INTO THE PROBLEM OF BIOLOGICAL NITROGEN FIXATION: SELLMANN-TYPE METAL–SULFUR MODEL COMPLEXES | |
Quantum Chemical Spin Densities for Radical Cations of Photosynthetic Pigment Models | |
A Quantum-Chemical Study of Dinitrogen Reduction at Mononuclear Iron–Sulfur Complexes with Hints to the Mechanism of Nitrogenase | |
A quantum chemical study on the stability of [3n]-allenophanes (n = 2–4) | |
Quantum entanglement in carbon–carbon, carbon–phosphorus and silicon–silicon bonds | |
Quantum-information analysis of electronic states of different molecular structures | |
Quantum Proton Effects from Density Matrix Renormalization Group Calculations | |
Quantum system partitioning at the single-particle level | |
Real-time feedback from iterative electronic structure calculations | |
Redox Activity of Oxo-Bridged Iridium Dimers in an N,O-Donor Environment: Characterization of Remarkably Stable Ir(IV,V) Complexes. | |
Regioselectivity of H cluster oxidation | |
Regular no-pair Dirac operators: Numerical study of the convergence of high-order Douglas–Kroll–Hess transformations | |
Relativistic DMRG calculations on the curve crossing of cesium hydride | |
Relativistic Douglas-Kroll-Hess theory | |
Relativistic effects on the Fukui function | |
Relativistic kinetic-balance condition for explicitly correlated basis functions | |
Relativistic quantum chemistry : the fundamental theory of molecular science | |
Relevance of the electric-dipole--electric-quadrupole contribution to Raman optical activity spectra | |
Reliable Estimation of Prediction Uncertainty for Physicochemical Property Models | |
Reparameterization of hybrid functionals based on energy differences of states of different multiplicity | |
Response to “Comment on ‘Accurate frozen-density embedding potentials as a first step towards a subsystem description of covalent bonds’” [J. Chem. Phys. 135, 027101 (2011)] | |
Restrained optimization of broken-symmetry determinants | |
Rigorous Conformational Analysis of Pyrrolidine Enamines with Relevance to Organocatalysis | |
Selection of active spaces for multiconfigurational wavefunctions | |
Selective calculation of high-intensity vibrations in molecular resonance Raman spectra | |
Self-adaptive tensor network states with multi-site correlators. | |
Self-consistent embedding of density-matrix renormalization group wavefunctions in a density functional environment. | |
Self-consistent treatment of the frequency-independent Breit interaction in Dirac-Fock calculations of atomic structures. II. He- and Be-like ions | |
Self-Parametrizing System-Focused Atomistic Models | |
Semiempirical molecular orbital models based on the neglect of diatomic differential overlap approximation | |
Silyl group migration in a P-silylated phosphonium ylide derived from dppm — A combined experimental and theoretical study | |
Special issue on quantum information in chemistry | |
Spin-adapted matrix product states and operators. | |
Spin in density-functional theory | |
Spin Interactions in Cluster Chemistry | |
Spin–Orbit Coupling and Potential Energy Functions of Ar2+ and Kr2+ by High-Resolution Photoelectron Spectroscopy and ab Initio Quantum Chemistry | |
Spin–Spin interactions in polynuclear transition-metal complexes | |
Spin states in polynuclear clusters: The [Fe2O2] core of the methane monooxygenase active site | |
A stable phosphanyl phosphaketene and its reactivity | |
Systems chemistry from fundamental theory to concepts in bioinorganic chemistry | |
A Theoretical Challenge: Transition-Metal Compounds | |
A theoretical study of spin states in Ni-S4 complexes and models of the [NiFe] hydrogenase active site | |
Trinuclear copper | |
A Wavefunction-Based Criterion for the Detection of Intermolecular Interactions in Molecular Dynamics Simulations |