Showing results (131-140 of 254) with videos related to
Sort By:
Pageof 26
Journal of Chemical Theory and Computation|January 3, 2022
Quantum Proton Effects from Density Matrix Renormalization Group CalculationsRobin Feldmann, Andrea Muolo, Alberto Baiardi, et al.Journal of Chemical Theory and Computation|January 21, 2016
Accelerating Wave Function Convergence in Interactive Quantum Chemical Reactivity StudiesAdrian H Mühlbach, Alain C Vaucher, Markus ReiherThe Journal of Physical Chemistry Letters|August 22, 2015
Entanglement Measures for Single- and Multireference Correlation EffectsKatharina Boguslawski, Pawel̷ Tecmer, Örs Legeza, et al.Journal of Computational Chemistry|February 7, 2020
Systematic microsolvation approach with a cluster-continuum scheme and conformational samplingGregor N Simm, Paul L Türtscher, Markus ReiherThe Journal of Chemical Physics|February 6, 2008
Topological analysis of electron densities from Kohn-Sham and subsystem density functional theoryKarin Kiewisch, Georg Eickerling, Markus Reiher, et al.Journal of Chemical Theory and Computation|February 17, 2025
Non-iterative Triples for Transcorrelated Coupled Cluster TheoryMaximilian Mörchen, Alberto Baiardi, Michał Lesiuk, et al.Physical Chemistry Chemical Physics : PCCP|November 23, 2013
Unravelling the quantum-entanglement effect of noble gas coordination on the spin ground state of CUOPaweł Tecmer, Katharina Boguslawski, Örs Legeza, et al.Journal of Chemical Theory and Computation|July 14, 2016
The Delicate Balance of Static and Dynamic Electron CorrelationChristopher J Stein, Vera von Burg, Markus ReiherThe Journal of Physical Chemistry. A|November 14, 2018
Exploration of Reaction Pathways and Chemical Transformation NetworksGregor N Simm, Alain C Vaucher, Markus ReiherJournal of Chemical Theory and Computation|December 14, 2016
A Nonorthogonal State-Interaction Approach for Matrix Product State Wave FunctionsStefan Knecht, Sebastian Keller, Jochen Autschbach, et al.Pageof 26