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Journal of Computational Chemistry|July 4, 2015
Constrained numerical gradients and composite gradients: Practical tools for geometry optimization and potential energy surface navigationMichael Stenrup, Roland Lindh, Ignacio Fdez GalvánPhysical Chemistry Chemical Physics : PCCP|May 19, 2017
pH-Dependent absorption spectrum of a protein: a minimal electrostatic model of Anabaena sensory rhodopsinMichael Stenrup, Elisa Pieri, Vincent Ledentu, et al.Journal of Chemical Theory and Computation|October 26, 2016
Toward Automatic Rhodopsin Modeling as a Tool for High-Throughput Computational PhotobiologyFederico Melaccio, María Del Carmen Marín, Alessio Valentini, et al.Journal of Computational Chemistry|November 13, 2015
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic tableFrancesco Aquilante, Jochen Autschbach, Rebecca K Carlson, et al.Pageof 1