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Chemistry (Weinheim an Der Bergstrasse, Germany)|November 26, 2003
From rare gas atoms to fullerenes: spherical aromaticity studied from the point of view of atomic structure theoryMarkus Reiher, Andreas HirschThe Journal of Chemical Physics|July 19, 2012
Molecular structure calculations: a unified quantum mechanical description of electrons and nuclei using explicitly correlated Gaussian functions and the global vector representationEdit Mátyus, Markus ReiherJournal of Chemical Theory and Computation|August 19, 2024
Renormalized Internally Contracted Multireference Coupled Cluster with Perturbative TriplesRobin Feldmann, Markus ReiherJournal of Chemical Theory and Computation|June 30, 2026
After 100 Years of Quantum Mechanics: Toward a Constructive Observation-Centered PerspectiveTimothy Stroschein, Markus ReiherThe Journal of Physical Chemistry Letters|July 13, 2026
Utility-Scale Quantum Computational ChemistryDavide Castaldo, Markus ReiherJournal of Chemical Theory and Computation|July 29, 2025
Hierarchical Quantum Embedding by Machine Learning for Large Molecular AssembliesMoritz Bensberg, Marco Eckhoff, Raphael T Husistein, et al.The Journal of Chemical Physics|March 5, 2009
Localizing normal modes in large moleculesChristoph R Jacob, Markus ReiherJournal of Chemical Theory and Computation|May 10, 2016
Systematic Error Estimation for Chemical Reaction EnergiesGregor N Simm, Markus ReiherFaraday Discussions|September 19, 2019
The electrostatic potential as a descriptor for the protonation propensity in automated exploration of reaction mechanismsStephanie A Grimmel, Markus ReiherThe Journal of Chemical Physics|November 17, 2018
Quantum system partitioning at the single-particle levelAdrian H Mühlbach, Markus ReiherPageof 26