Follow
Michael Filatov
Michael Filatov
Unknown affiliation
Verified email at thch.uni-bonn.de
Title
Cited by
Cited by
Year
A model “rebound” mechanism of hydroxylation by cytochrome P450: stepwise and effectively concerted pathways, and their reactivity patterns
F Ogliaro, N Harris, S Cohen, M Filatov, SP de Visser, S Shaik
Journal of the American Chemical Society 122 (37), 8977-8989, 2000
4262000
Electronic Structure Makes a Difference: Cytochrome P‐450 Mediated Hydroxylations of Hydrocarbons as a Two‐State Reactivity Paradigm
S Shaik, M Filatov, D Schröder, H Schwarz
Chemistry–A European Journal 4 (2), 193-199, 1998
3991998
A spin-restricted ensemble-referenced Kohn–Sham method and its application to diradicaloid situations
M Filatov, S Shaik
Chemical physics letters 304 (5-6), 429-437, 1999
2331999
NMR chemical shift data and ab initio shielding calculations: emerging tools for protein structure determination
FAA Mulder, M Filatov
Chemical Society Reviews 39 (2), 578-590, 2010
2132010
Can unrestricted density-functional theory describe open shell singlet biradicals?
J Gräfenstein, E Kraka, M Filatov, D Cremer
International Journal of Molecular Sciences 3 (4), 360-394, 2002
2012002
Theoretical Investigation of Two-State-Reactivity Pathways of H−H Activation by FeO+:  Addition−Elimination, “Rebound”, and Oxene-Insertion Mechanisms
M Filatov, S Shaik
The Journal of Physical Chemistry A 102 (21), 3835-3846, 1998
1791998
Spin-restricted density functional approach to the open-shell problem
M Filatov, S Shaik
Chemical Physics Letters 288 (5-6), 689-697, 1998
1761998
Shape of multireference, equation-of-motion coupled-cluster, and density functional theory potential energy surfaces at a conical intersection
S Gozem, F Melaccio, A Valentini, M Filatov, M Huix-Rotllant, N Ferré, ...
Journal of chemical theory and computation 10 (8), 3074-3084, 2014
1612014
Application of spin-restricted open-shell Kohn–Sham method to atomic and molecular multiplet states
M Filatov, S Shaik
The Journal of chemical physics 110 (1), 116-125, 1999
1421999
Surface hopping excited-state dynamics study of the photoisomerization of a light-driven fluorene molecular rotary motor
A Kazaryan, Z Lan, LV Schafer, W Thiel, M Filatov
Journal of chemical theory and computation 7 (7), 2189-2199, 2011
1362011
Implicit and explicit coverage of multi-reference effects by density functional theory
D Cremer, M Filatov, V Polo, E Kraka, S Shaik
International Journal of Molecular Sciences 3 (6), 604-638, 2002
1282002
Extent and limitations of density-functional theory in describing magnetic systems
F Illas, I de PR Moreira, JM Bofill, M Filatov
Physical Review B 70 (13), 132414, 2004
1202004
Two‐state reactivity in the rebound step of alkane hydroxylation by cytochrome P‐450: origins of free radicals with finite lifetimes
N Harris, S Cohen, M Filatov, F Ogliaro, S Shaik
Angewandte Chemie International Edition 39 (11), 2003-2007, 2000
1182000
Exchange-correlation density functional beyond the gradient approximation
M Filatov, W Thiel
Physical Review A 57 (1), 189, 1998
1131998
A first principles study of fluorescence quenching in rhodamine B dimers: how can quenching occur in dimeric species?
D Setiawan, A Kazaryan, MA Martoprawiro, M Filatov
Physical Chemistry Chemical Physics 12 (37), 11238-11244, 2010
1112010
Spin‐restricted ensemble‐referenced Kohn–Sham method: basic principles and application to strongly correlated ground and excited states of molecules
M Filatov
Wiley Interdisciplinary Reviews: Computational Molecular Science 5 (1), 146-167, 2015
1102015
On the “rebound” mechanism of alkane hydroxylation by cytochrome P450: Electronic structure of the intermediate and the electron transfer character in the rebound step
M Filatov, N Harris, S Shaik
Angewandte Chemie International Edition 38 (23), 3510-3512, 1999
1031999
A new gradient-corrected exchange-correlation density functional
M Filatov, W Thiel
Molecular Physics 91 (5), 847-860, 1997
1031997
Comment on “About the calculation of exchange coupling constants using density-functional theory: The role of the self-interaction error”[J. Chem. Phys. 123, 164110 (2005)]
C Adamo, V Barone, A Bencini, R Broer, M Filatov, NM Harrison, F Illas, ...
The Journal of chemical physics 124 (10), 107101, 2006
1012006
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
F Ogliaro, S Cohen, M Filatov, N Harris, S Shaik
Angewandte Chemie International Edition 39 (21), 3851-3855, 2000
1012000
The system can't perform the operation now. Try again later.
Articles 1–20