Filatov, Michael A. : rechercher sur Z-Library

Sason Shaik, Michael Filatov, Detlef Schröder, Helmut Schwarz

Année:

1999

Langue:

german

Fichier:

PDF, 96 KB

german, 1999

Electronic Structure Makes a Difference: Cytochrome P-450 Mediated Hydroxylations of Hydrocarbons as a Two-State Reactivity Paradigm

Journal:

Chemistry - A European Journal

Année:

1998

Langue:

english

Fichier:

PDF, 202 KB

english, 1998

On the “Rebound” Mechanism of Alkane Hydroxylation by Cytochrome P450: Electronic Structure of the Intermediate and the Electron Transfer Character in the Rebound Step

Michael Filatov, Nathan Harris, Sason Shaik

Journal:

François Ogliaro, Michael Filatov, Sason Shaik

Année:

1999

Langue:

english

Fichier:

PDF, 85 KB

english, 1999

Alkane Hydroxylation by Cytochrome P450: Is Kinetic Isotope Effect a Reliable Probe of Transition State Structure?

Journal:

European Journal of Inorganic Chemistry

Année:

2000

Langue:

english

Fichier:

PDF, 256 KB

english, 2000

Zwei Reaktionswege beim „Wiederanbindungs”-Mechanismus der Alkanhydroxylierung durch Cytochrom P450: Entstehung freier Radikale mit begrenzter Lebensdauer

Nathan Harris, Shimrit Cohen, Michael Filatov, François Ogliaro, Sason Shaik

Journal:

Année:

2000

Langue:

german

Fichier:

PDF, 207 KB

german, 2000

The High-Valent Compound of Cytochrome P450: The Nature of the Fe−S Bond and the Role of the Thiolate Ligand as an Internal Electron Donor

François Ogliaro, Shimrit Cohen, Michael Filatov, Nathan Harris, Sason Shaik

Journal:

Année:

2000

Langue:

english

Fichier:

PDF, 155 KB

english, 2000

The High-Valent Compound of Cytochrome P450: The Nature of the Fe−S Bond and the Role of the Thiolate Ligand as an Internal Electron Donor

François Ogliaro, Shimrit Cohen, Michael Filatov, Nathan Harris, Sason Shaik

Journal:

Année:

2001

Langue:

german

Fichier:

PDF, 44 KB

german, 2001

Two-State Reactivity in the Rebound Step of Alkane Hydroxylation by Cytochrome P-450: Origins of Free Radicals with Finite Lifetimes

Nathan Harris, Shimrit Cohen, Michael Filatov, François Ogliaro, Sason Shaik

Journal:

Année:

2000

Langue:

english

Fichier:

PDF, 119 KB

english, 2000

The High-Valent Compound of Cytochrome P450: The Nature of the Fe−S Bond and the Role of the Thiolate Ligand as an Internal Electron Donor

François Ogliaro, Shimrit Cohen, Michael Filatov, Nathan Harris, Sason Shaik

Journal:

Année:

2000

Langue:

english

Fichier:

PDF, 155 KB

english, 2000

The High-Valent Compound of Cytochrome P450: The Nature of the Fe−S Bond and the Role of the Thiolate Ligand as an Internal Electron Donor

François Ogliaro, Shimrit Cohen, Michael Filatov, Nathan Harris, Sason Shaik

Journal:

Année:

2001

Langue:

english

Fichier:

PDF, 44 KB

english, 2001

Bonding in Radon Hexafluoride: An Unusual Relativistic Problem?

Frans A. A. Mulder, Michael Filatov

Journal:

ChemInform

Année:

2003

Fichier:

PDF, 4 KB

2003

ChemInform Abstract: NMR Chemical Shift Data and ab initio Shielding Calculations: Emerging Tools for Protein Structure Determination

Journal:

ChemInform

Année:

2010

Fichier:

PDF, 15 KB

2010

Revision of the Dissociation Energies of Mercury Chalcogenides—Unusual Types of Mercury Bonding

Dieter Cremer, Elfi Kraka, Michael Filatov

Journal:

ChemPhysChem

Année:

2004

Langue:

english

Fichier:

PDF, 246 KB

english, 2004

Bonding in Mercury Molecules Described by the Normalized Elimination of the Small Component and Coupled Cluster Theory

Journal:

ChemPhysChem

Année:

2008

Langue:

english

Fichier:

PDF, 317 KB

english, 2008

Theoretical Study of the Photochemistry of a Reversible Three-State Bis-Thiaxanthylidene Molecular Switch

Prof. Dr. Michael Filatov

Journal:

ChemPhysChem

Année:

2011

Langue:

english

Fichier:

PDF, 1.29 MB

english, 2011

A REKS Assessment of the Face-Diagonal Bond in 1,3-Didehydrocubane and a Comparison with Benzyne Biradicals

Sam P. de Visser, Michael Filatov, Peter R. Schreiner, Sason Shaik

Journal:

European Journal of Organic Chemistry

Année:

2003

Langue:

english

Fichier:

PDF, 137 KB

english, 2003

Artificial symmetry breaking in radicals is avoided by the use of the Ensemble-Referenced Kohn–Sham (REKS) method

Michael Filatov, Sason Shaik

Journal:

Année:

2000

Langue:

english

Fichier:

PDF, 247 KB

english, 2000

m-Benzyne and bicyclo[3.1.0]hexatriene – which isomer is more stable? – a quantum chemical investigation

Elfi Kraka, Josep Anglada, Angelica Hjerpe, Michael Filatov, Dieter Cremer

Journal:

Année:

2001

Langue:

english

Fichier:

PDF, 244 KB

english, 2001

A new quasi-relativistic approach for density functional theory based on the normalized elimination of the small component

Journal:

Année:

2002

Langue:

english

Fichier:

PDF, 103 KB

english, 2002

On representation of the Hamiltonian matrix elements in relativistic regular approximation

Michael Filatov

Journal:

Année:

2002

Langue:

english

Fichier:

PDF, 122 KB

english, 2002

Relativistically corrected geometries obtained with analytical gradients: normalized elimination of the small component using an effective potential

Journal:

Année:

2003

Langue:

english

Fichier:

PDF, 105 KB

english, 2003

On the binding of carbonyl to a single palladium atom

Michael Filatov

Journal:

Michael Filatov, Sason Shaik

Année:

2003

Langue:

english

Fichier:

PDF, 155 KB

english, 2003

Spin-restricted density functional approach to the open-shell problem

Journal:

Michael Filatov, Walter Thiel

Année:

1998

Langue:

english

Fichier:

PDF, 101 KB

english, 1998

Tests of a density functional with Laplacian terms: activation barriers and bond-stretching energies

Journal:

Andrew J. Cornish, Michael F. Lappert, Grace L. Filatovs, Terence A. Nile

Année:

1998

Langue:

english

Fichier:

PDF, 135 KB

english, 1998

Homogeneous catalysis: VI. Hydrosilylation using tris(pentanedionato)rhodium(III) or tetrakis(μ-acetato)dirhodium(II) as catalyst

Journal:

Journal of Organometallic Chemistry

Année:

1979

Langue:

english

Fichier:

PDF, 742 KB

english, 1979

Transcriptome analysis of root transporters reveals participation of multiple gene families in the response to cation stress

Frans J. M. Maathuis, Victor Filatov, Pawel Herzyk, Gerard C. Krijger, Kristian B. Axelsen, Sixue Chen, Brian J. Green, Yi Li, Kathryn L. Madagan, Rocío Sánchez-Fernández, Brian G. Forde, Michael G. P

Journal:

The Plant Journal

Année:

2003

Langue:

english

Fichier:

PDF, 382 KB

english, 2003

NDDO/MC: A new semiempirical SCFMO method for transition metal complexes

Michael J. Filatov, Igor L. Zilberberg, George M. Zhidomirov

Journal:

International Journal of Quantum Chemistry

Année:

1992

Langue:

english

Fichier:

PDF, 780 KB

english, 1992

CNDO-S2—a semiempirical SCF MO method for transition metal organometallics

Michael J. Filatov, Oleg V. Gritsenko, George M. Zhidomirov

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

1987

Langue:

english

Fichier:

PDF, 546 KB

english, 1987

A variationally stable quasi-relativistic method: low-order approximation to the normalized elimination of the small component using an effective potential

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Journal:

Année:

2002

Langue:

english

Fichier:

PDF, 193 KB

english, 2002

On convergence of the normalized elimination of the small component (NESC) method

Michael Filatov, Kenneth G. Dyall

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

2007

Langue:

english

Fichier:

PDF, 138 KB

english, 2007

An improved algorithm for the normalized elimination of the small-component method

Wenli Zou, Michael Filatov, Dieter Cremer

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

2011

Langue:

english

Fichier:

PDF, 376 KB

english, 2011

First principles calculation of Mössbauer isomer shift

Michael Filatov

Journal:

Coordination Chemistry Reviews

Année:

2009

Langue:

english

Fichier:

PDF, 405 KB

english, 2009

A spin-restricted ensemble-referenced Kohn–Sham method and its application to diradicaloid situations

Michael Filatov, Sason Shaik

Journal: