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Marius Retegan

Showing results (1-10 of 37) with videos related to

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Journal of the American Chemical Society|September 27, 2017
Differences in the Active Site of Water Oxidation among Photosynthetic OrganismsMarius Retegan, Dimitrios A Pantazis
Chemical Science|April 29, 2017
Interaction of methanol with the oxygen-evolving complex: atomistic models, channel identification, species dependence, and mechanistic implicationsMarius Retegan, Dimitrios A Pantazis
Journal of Chemical Information and Modeling|April 10, 2009
Exploring the binding of inhibitors derived from tetrabromobenzimidazole to the CK2 protein using a QM/MM-PB/SA approachMarius Retegan, Anne Milet, Hélène Jamet
Journal of Chemical Theory and Computation|November 20, 2015
Convergence of QM/MM and Cluster Models for the Spectroscopic Properties of the Oxygen-Evolving Complex in Photosystem IIMarius Retegan, Frank Neese, Dimitrios A Pantazis
Inorganic Chemistry|October 24, 2014
A first-principles approach to the calculation of the on-site zero-field splitting in polynuclear transition metal complexesMarius Retegan, Nicholas Cox, Dimitrios A Pantazis, et al.
Inorganic Chemistry|August 25, 2020
Chemical Sensitivity of Kβ and Kα X-ray Emission from a Systematic Investigation of Iron CompoundsSara Lafuerza, Andrea Carlantuono, Marius Retegan, et al.
The Journal of Chemical Physics|August 17, 2010
Free energy calculations using dual-level Born-Oppenheimer molecular dynamicsMarius Retegan, Marilia Martins-Costa, Manuel F Ruiz-López
Physical Chemistry Chemical Physics : PCCP|November 20, 2012
A combined high-field EPR and quantum chemical study on a weakly ferromagnetically coupled dinuclear Mn(III) complex. A complete analysis of the EPR spectrum beyond the strong coupling limitMarius Retegan, Marie-Noëlle Collomb, Frank Neese, et al.
Physical Chemistry Chemical Physics : PCCP|April 25, 2014
The first tyrosyl radical intermediate formed in the S2-S3 transition of photosystem IIMarius Retegan, Nicholas Cox, Wolfgang Lubitz, et al.
Science (New York, N.Y.)|August 16, 2014
Photosynthesis. Electronic structure of the oxygen-evolving complex in photosystem II prior to O-O bond formationNicholas Cox, Marius Retegan, Frank Neese, et al.
Pageof 4

Showing results (1-10 of 37) with videos related to

Sort By:
Pageof 4
Journal of the American Chemical Society|September 27, 2017
Differences in the Active Site of Water Oxidation among Photosynthetic OrganismsMarius Retegan, Dimitrios A Pantazis
Chemical Science|April 29, 2017
Interaction of methanol with the oxygen-evolving complex: atomistic models, channel identification, species dependence, and mechanistic implicationsMarius Retegan, Dimitrios A Pantazis
Journal of Chemical Information and Modeling|April 10, 2009
Exploring the binding of inhibitors derived from tetrabromobenzimidazole to the CK2 protein using a QM/MM-PB/SA approachMarius Retegan, Anne Milet, Hélène Jamet
Journal of Chemical Theory and Computation|November 20, 2015
Convergence of QM/MM and Cluster Models for the Spectroscopic Properties of the Oxygen-Evolving Complex in Photosystem IIMarius Retegan, Frank Neese, Dimitrios A Pantazis
Inorganic Chemistry|October 24, 2014
A first-principles approach to the calculation of the on-site zero-field splitting in polynuclear transition metal complexesMarius Retegan, Nicholas Cox, Dimitrios A Pantazis, et al.
Inorganic Chemistry|August 25, 2020
Chemical Sensitivity of Kβ and Kα X-ray Emission from a Systematic Investigation of Iron CompoundsSara Lafuerza, Andrea Carlantuono, Marius Retegan, et al.
The Journal of Chemical Physics|August 17, 2010
Free energy calculations using dual-level Born-Oppenheimer molecular dynamicsMarius Retegan, Marilia Martins-Costa, Manuel F Ruiz-López
Physical Chemistry Chemical Physics : PCCP|November 20, 2012
A combined high-field EPR and quantum chemical study on a weakly ferromagnetically coupled dinuclear Mn(III) complex. A complete analysis of the EPR spectrum beyond the strong coupling limitMarius Retegan, Marie-Noëlle Collomb, Frank Neese, et al.
Physical Chemistry Chemical Physics : PCCP|April 25, 2014
The first tyrosyl radical intermediate formed in the S2-S3 transition of photosystem IIMarius Retegan, Nicholas Cox, Wolfgang Lubitz, et al.
Science (New York, N.Y.)|August 16, 2014
Photosynthesis. Electronic structure of the oxygen-evolving complex in photosystem II prior to O-O bond formationNicholas Cox, Marius Retegan, Frank Neese, et al.
Pageof 4