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The Journal of Physical Chemistry Letters|May 21, 2016
First Hyperpolarizability of Collagen Using the Point Dipole ApproximationIgnat Harczuk, Olav Vahtras, Hans ÅgrenNanoscale|June 16, 2016
Decoration of gold nanoparticles with cysteine in solution: reactive molecular dynamics simulationsSusanna Monti, Vincenzo Carravetta, Hans ÅgrenThe Journal of Physical Chemistry. B|December 3, 2014
Microsecond Molecular Dynamics Simulations Provide Insight into the Allosteric Mechanism of the Gs Protein Uncoupling from the β2 Adrenergic ReceptorXianqiang Sun, Hans Ågren, Yaoquan TuPhysical Chemistry Chemical Physics : PCCP|May 21, 2013
π-Stacking effects on the EPR parameters of a prototypical DNA spin labelBogdan Frecus, Zilvinas Rinkevicius, Hans ÅgrenPhysical Chemistry Chemical Physics : PCCP|February 26, 2015
Frequency-dependent force fields for QMMM calculationsIgnat Harczuk, Olav Vahtras, Hans ÅgrenOrganic Letters|September 15, 2015
Synthesis of a Neo-Confused Octaphyrin and the Formation of Its Mononuclear ComplexesKai Zhang, Junda Zhang, Xin Li, et al.Journal of the American Chemical Society|March 16, 2013
Unimolecular photoconversion of multicolor luminescence on hierarchical self-assembliesLiangliang Zhu, Xin Li, Quan Zhang, et al.Journal of the American Chemical Society|December 29, 2016
Helical Self-Assembly-Induced Singlet-Triplet Emissive Switching in a Mechanically Sensitive SystemHongwei Wu, Yunyun Zhou, Liyuan Yin, et al.Angewandte Chemie (International Ed. in English)|October 18, 2014
Neo-fused hexaphyrin: a molecular puzzle containing an N-linked pentaphyrinPingchun Wei, Kai Zhang, Xin Li, et al.Journal of Chemical Theory and Computation|November 20, 2015
pH-Induced Modulation of One- and Two-Photon Absorption Properties in a Naphthalene-Based Molecular ProbeN Arul Murugan, Jacob Kongsted, Hans ÅgrenPageof 3,135