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Ahmet Altun

Showing results (1-10 of 99) with videos related to

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The Journal of Physical Chemistry. B|July 21, 2006
Combined quantum mechanical/molecular mechanical study on the pentacoordinated ferric and ferrous cytochrome P450cam complexesAhmet Altun, Walter Thiel
Journal of Chemical Information and Modeling|August 28, 2025
LEDAW: An Integrated Software Suite with GUI for Automating Local Energy Decomposition Analysis of Molecular InteractionsAhmet Altun, Frank Neese, Giovanni Bistoni
Journal of Computational Chemistry|June 22, 2006
Systematic QM/MM investigation of factors that affect the cytochrome P450-catalyzed hydrogen abstraction of camphorAhmet Altun, Sason Shaik, Walter Thiel
ACS Chemical Biology|June 10, 2011
H-bond network around retinal regulates the evolution of ultraviolet and violet visionAhmet Altun, Keiji Morokuma, Shozo Yokoyama
The Journal of Physical Chemistry. B|April 16, 2009
Mechanism of spectral tuning going from retinal in vacuo to bovine rhodopsin and its mutants: multireference ab initio quantum mechanics/molecular mechanics studiesAhmet Altun, Shozo Yokoyama, Keiji Morokuma
Journal of Chemical Theory and Computation|November 30, 2018
Effect of Electron Correlation on Intermolecular Interactions: A Pair Natural Orbitals Coupled Cluster Based Local Energy Decomposition StudyAhmet Altun, Frank Neese, Giovanni Bistoni
Journal of Chemical Theory and Computation|February 15, 2022
Open-Shell Variant of the London Dispersion-Corrected Hartree-Fock Method (HFLD) for the Quantification and Analysis of Noncovalent Interaction EnergiesAhmet Altun, Frank Neese, Giovanni Bistoni
Beilstein Journal of Organic Chemistry|May 17, 2018
Local energy decomposition analysis of hydrogen-bonded dimers within a domain-based pair natural orbital coupled cluster studyAhmet Altun, Frank Neese, Giovanni Bistoni
Journal of Chemical Theory and Computation|September 21, 2019
HFLD: A Nonempirical London Dispersion-Corrected Hartree-Fock Method for the Quantification and Analysis of Noncovalent Interaction Energies of Large Molecular Systems †Ahmet Altun, Frank Neese, Giovanni Bistoni
Journal of the American Chemical Society|June 28, 2007
What is the active species of cytochrome P450 during camphor hydroxylation? QM/MM studies of different electronic states of compound I and of reduced and oxidized iron-oxo intermediatesAhmet Altun, Sason Shaik, Walter Thiel
Pageof 10

Showing results (1-10 of 99) with videos related to

Sort By:
Pageof 10
The Journal of Physical Chemistry. B|July 21, 2006
Combined quantum mechanical/molecular mechanical study on the pentacoordinated ferric and ferrous cytochrome P450cam complexesAhmet Altun, Walter Thiel
Journal of Chemical Information and Modeling|August 28, 2025
LEDAW: An Integrated Software Suite with GUI for Automating Local Energy Decomposition Analysis of Molecular InteractionsAhmet Altun, Frank Neese, Giovanni Bistoni
Journal of Computational Chemistry|June 22, 2006
Systematic QM/MM investigation of factors that affect the cytochrome P450-catalyzed hydrogen abstraction of camphorAhmet Altun, Sason Shaik, Walter Thiel
ACS Chemical Biology|June 10, 2011
H-bond network around retinal regulates the evolution of ultraviolet and violet visionAhmet Altun, Keiji Morokuma, Shozo Yokoyama
The Journal of Physical Chemistry. B|April 16, 2009
Mechanism of spectral tuning going from retinal in vacuo to bovine rhodopsin and its mutants: multireference ab initio quantum mechanics/molecular mechanics studiesAhmet Altun, Shozo Yokoyama, Keiji Morokuma
Journal of Chemical Theory and Computation|November 30, 2018
Effect of Electron Correlation on Intermolecular Interactions: A Pair Natural Orbitals Coupled Cluster Based Local Energy Decomposition StudyAhmet Altun, Frank Neese, Giovanni Bistoni
Journal of Chemical Theory and Computation|February 15, 2022
Open-Shell Variant of the London Dispersion-Corrected Hartree-Fock Method (HFLD) for the Quantification and Analysis of Noncovalent Interaction EnergiesAhmet Altun, Frank Neese, Giovanni Bistoni
Beilstein Journal of Organic Chemistry|May 17, 2018
Local energy decomposition analysis of hydrogen-bonded dimers within a domain-based pair natural orbital coupled cluster studyAhmet Altun, Frank Neese, Giovanni Bistoni
Journal of Chemical Theory and Computation|September 21, 2019
HFLD: A Nonempirical London Dispersion-Corrected Hartree-Fock Method for the Quantification and Analysis of Noncovalent Interaction Energies of Large Molecular Systems †Ahmet Altun, Frank Neese, Giovanni Bistoni
Journal of the American Chemical Society|June 28, 2007
What is the active species of cytochrome P450 during camphor hydroxylation? QM/MM studies of different electronic states of compound I and of reduced and oxidized iron-oxo intermediatesAhmet Altun, Sason Shaik, Walter Thiel
Pageof 10