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Benchmarking Electron Densities and Electrostatic Potentials of Proteins from the Three-Partition Frozen Density Embedding Method Goez A., Neugebauer J. (2016) In: Journal of Chemical Theory and Computation, 12(10). Research article (journal)
Including protein density relaxation effects in first-principles embedding calculations of cofactor excitation energies Goez A., Neugebauer J. (2016) In: Molecular Physics, 2017(null). Research article (journal)
A Local Variant of the Conductor-Like Screening Model for Fragment-Based Electronic-Structure Methods Goez A., Neugebauer J. (2015) In: Journal of Chemical Theory and Computation, 11(11). Research article (journal)
Sequential Surface Modification of Au Nanoparticles: From Surface-Bound AgI Complexes to Ag0 Doping Fritz E.C.,Nimphius C.,Goez A.,Würtz S,,Peterlechner M.,Neugebauer J.,Glorius F.,Ravoo B.J. (2015) In: Chemistry - A European Journal, 2015(21 (12)). Research article (journal)
Modeling environment effects on pigment site energies: Frozen density embedding with fully quantum-chemical protein densities Goez A., Jacob C.R., Neugebauer J. (2014) In: Computational and Theoretical Chemistry, 1040-1041(null). Research article (journal)

Duration: 01/01/2010 - 30/09/2015

Funded by: Netherlands Organization for Scientific Research

Type of project: Individual project

Towards a Quantum-Chemical Description of Exciton Dynamics in Photosynthetic Proteins
Candidate: Goez, Albrecht | Supervisors: Neugebauer, Johannes; Doltsinis, Nikos
Period of time: until 23/06/2016
Doctoral examination procedure finished at: Doctoral examination procedure at University of Münster