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Journal of Computational Chemistry
|
April 24, 2013
An efficient fluctuating charge model for transition metal complexes
Peter Comba, Bodo Martin, Avik Sanyal
The Journal of Physical Chemistry. A
|
May 28, 2009
Calculation of exchange coupling constants of transition metal complexes with DFT
Peter Comba, Sascha Hausberg, Bodo Martin
Dalton Transactions (Cambridge, England : 2003)
|
June 27, 2013
The computation of lipophilicities of ⁶⁴Cu PET systems based on a novel approach for fluctuating charges
Peter Comba, Bodo Martin, Avik Sanyal, et al.
Inorganic Chemistry
|
August 23, 2012
Structure, bonding, and catecholase mechanism of copper bispidine complexes
Peter Comba, Bodo Martin, Amsaveni Muruganantham, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 8, 2017
Nonheme Iron-Oxo-Catalyzed Methane Formation from Methyl Thioethers: Scope, Mechanism, and Relevance for Natural Systems
Kathrin Benzing, Peter Comba, Bodo Martin, et al.
Journal of Molecular Modeling
|
October 1, 2003
Local molecular properties and their use in predicting reactivity
Bernd Ehresmann, Bodo Martin, Anselm H C Horn, et al.
Dalton Transactions (Cambridge, England : 2003)
|
February 19, 2020
Spin state and reactivity of iron(iv)oxido complexes with tetradentate bispidine ligands
Peter Comba, Dieter Faltermeier, Saskia Krieg, et al.
Journal of Molecular Modeling
|
September 5, 2003
AM1* parameters for phosphorus, sulfur and chlorine
Paul Winget, Anselm H C Horn, Cenk Selçuki, et al.
Angewandte Chemie (International Ed. in English)
|
July 29, 2016
A Bispidine Iron(IV)-Oxo Complex in the Entatic State
Peter Comba, Shunichi Fukuzumi, Carsten Koke, et al.
Chemical Communications (Cambridge, England)
|
November 22, 2013
Computational modelling of oxygenation processes in enzymes and biomimetic model complexes
Sam P de Visser, Matthew G Quesne, Bodo Martin, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 20) with videos related to
Sort By:
Page
of 2
Journal of Computational Chemistry
|
April 24, 2013
An efficient fluctuating charge model for transition metal complexes
Peter Comba, Bodo Martin, Avik Sanyal
The Journal of Physical Chemistry. A
|
May 28, 2009
Calculation of exchange coupling constants of transition metal complexes with DFT
Peter Comba, Sascha Hausberg, Bodo Martin
Dalton Transactions (Cambridge, England : 2003)
|
June 27, 2013
The computation of lipophilicities of ⁶⁴Cu PET systems based on a novel approach for fluctuating charges
Peter Comba, Bodo Martin, Avik Sanyal, et al.
Inorganic Chemistry
|
August 23, 2012
Structure, bonding, and catecholase mechanism of copper bispidine complexes
Peter Comba, Bodo Martin, Amsaveni Muruganantham, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 8, 2017
Nonheme Iron-Oxo-Catalyzed Methane Formation from Methyl Thioethers: Scope, Mechanism, and Relevance for Natural Systems
Kathrin Benzing, Peter Comba, Bodo Martin, et al.
Journal of Molecular Modeling
|
October 1, 2003
Local molecular properties and their use in predicting reactivity
Bernd Ehresmann, Bodo Martin, Anselm H C Horn, et al.
Dalton Transactions (Cambridge, England : 2003)
|
February 19, 2020
Spin state and reactivity of iron(iv)oxido complexes with tetradentate bispidine ligands
Peter Comba, Dieter Faltermeier, Saskia Krieg, et al.
Journal of Molecular Modeling
|
September 5, 2003
AM1* parameters for phosphorus, sulfur and chlorine
Paul Winget, Anselm H C Horn, Cenk Selçuki, et al.
Angewandte Chemie (International Ed. in English)
|
July 29, 2016
A Bispidine Iron(IV)-Oxo Complex in the Entatic State
Peter Comba, Shunichi Fukuzumi, Carsten Koke, et al.
Chemical Communications (Cambridge, England)
|
November 22, 2013
Computational modelling of oxygenation processes in enzymes and biomimetic model complexes
Sam P de Visser, Matthew G Quesne, Bodo Martin, et al.
Page
of 2