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The Journal of Physical Chemistry. A
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March 6, 2015
Preface: 25th Austin Symposium on Molecular Structure and Dynamics
Dieter Cremer, Elfi Kraka
Accounts of Chemical Research
|
March 18, 2010
Computational analysis of the mechanism of chemical reactions in terms of reaction phases: hidden intermediates and hidden transition States
Elfi Kraka, Dieter Cremer
Journal of Computational Chemistry
|
January 3, 2025
A Closer Look at the FeS Heme Bonds in Azotobacter vinelandii Bacterioferritin: QM/MM and Local Mode Analysis
Marek Freindorf, Elfi Kraka
Physical Chemistry Chemical Physics : PCCP
|
June 27, 2019
A new way of studying chemical reactions: a hand-in-hand URVA and QTAIM approach
Sadisha Nanayakkara, Elfi Kraka
International Journal of Molecular Sciences
|
March 28, 2009
Bonding in mercury-alkali molecules: Orbital-driven van der Waals complexes
Elfi Kraka, Dieter Cremer
Dalton Transactions (Cambridge, England : 2003)
|
March 29, 2017
Generalization of the Tolman electronic parameter: the metal-ligand electronic parameter and the intrinsic strength of the metal-ligand bond
Dieter Cremer, Elfi Kraka
Dalton Transactions (Cambridge, England : 2003)
|
February 3, 2025
Metal-ligand and hydrogen bonding in the active site of Fe(III)-, Mn(III)- and Co(III)-myoglobins
Marek Freindorf, Elfi Kraka
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 20, 2009
Characterization of CF bonds with multiple-bond character: bond lengths, stretching force constants, and bond dissociation energies
Elfi Kraka, Dieter Cremer
Journal of Molecular Modeling
|
September 24, 2020
Critical assessment of the FeC and CO bond strength in carboxymyoglobin: a QM/MM local vibrational mode study
Marek Freindorf, Elfi Kraka
Journal of Computational Chemistry
|
November 18, 2025
Strength of FeS Bonds and Hydrogen Bonds in Small Molecule Inhibitors of Bacterioferritin: QM/MM and Local Mode Analysis
Marek Freindorf, Elfi Kraka
Page
of 13
Search research articles
Search
Showing results (1-10 of 130) with videos related to
Sort By:
Page
of 13
The Journal of Physical Chemistry. A
|
March 6, 2015
Preface: 25th Austin Symposium on Molecular Structure and Dynamics
Dieter Cremer, Elfi Kraka
Accounts of Chemical Research
|
March 18, 2010
Computational analysis of the mechanism of chemical reactions in terms of reaction phases: hidden intermediates and hidden transition States
Elfi Kraka, Dieter Cremer
Journal of Computational Chemistry
|
January 3, 2025
A Closer Look at the FeS Heme Bonds in Azotobacter vinelandii Bacterioferritin: QM/MM and Local Mode Analysis
Marek Freindorf, Elfi Kraka
Physical Chemistry Chemical Physics : PCCP
|
June 27, 2019
A new way of studying chemical reactions: a hand-in-hand URVA and QTAIM approach
Sadisha Nanayakkara, Elfi Kraka
International Journal of Molecular Sciences
|
March 28, 2009
Bonding in mercury-alkali molecules: Orbital-driven van der Waals complexes
Elfi Kraka, Dieter Cremer
Dalton Transactions (Cambridge, England : 2003)
|
March 29, 2017
Generalization of the Tolman electronic parameter: the metal-ligand electronic parameter and the intrinsic strength of the metal-ligand bond
Dieter Cremer, Elfi Kraka
Dalton Transactions (Cambridge, England : 2003)
|
February 3, 2025
Metal-ligand and hydrogen bonding in the active site of Fe(III)-, Mn(III)- and Co(III)-myoglobins
Marek Freindorf, Elfi Kraka
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 20, 2009
Characterization of CF bonds with multiple-bond character: bond lengths, stretching force constants, and bond dissociation energies
Elfi Kraka, Dieter Cremer
Journal of Molecular Modeling
|
September 24, 2020
Critical assessment of the FeC and CO bond strength in carboxymyoglobin: a QM/MM local vibrational mode study
Marek Freindorf, Elfi Kraka
Journal of Computational Chemistry
|
November 18, 2025
Strength of FeS Bonds and Hydrogen Bonds in Small Molecule Inhibitors of Bacterioferritin: QM/MM and Local Mode Analysis
Marek Freindorf, Elfi Kraka
Page
of 13