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Michael Filatov
Michael Filatov
Affiliazione sconosciuta
Email verificata su thch.uni-bonn.de
Titolo
Citata da
Citata da
Anno
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
4672000
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
4191998
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
2591999
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
2302010
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
2172002
Spin-restricted density functional approach to the open-shell problem
M Filatov, S Shaik
Chemical Physics Letters 288 (5-6), 689-697, 1998
1921998
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 Ferre, ...
Journal of chemical theory and computation 10 (8), 3074-3084, 2014
1912014
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
1801998
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
1582011
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
1531999
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
1392015
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
1382002
Density-functional methods for excited states
N Ferré, M Filatov, M Huix-Rotllant, C Adamo
Springer, 2016
1312016
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
1302004
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
1282010
Understanding the dynamics behind the photoisomerization of a light-driven fluorene molecular rotary motor
A Kazaryan, JCM Kistemaker, LV Schäfer, WR Browne, BL Feringa, ...
The Journal of Physical Chemistry A 114 (15), 5058-5067, 2010
1232010
Two-State Reactivity in the Rebound Step of Alkane Hydroxylation by Cytochrome P-450: Origins of Free Radicals with Finite Lifetimes This research was sponsored by the Israeli …
N Harris, S Cohen, M Filatov, F Ogliaro, S Shaik
Angewandte Chemie (International ed. in English) 39 (11), 2003-2007, 2000
1212000
Exchange-correlation density functional beyond the gradient approximation
M Filatov, W Thiel
Physical Review A 57 (1), 189, 1998
1201998
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
1121999
A new gradient-corrected exchange-correlation density functional
M Filatov, W Thiel
Molecular Physics 91 (5), 847-860, 1997
1091997
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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