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51

Amylolytic activity of IgG and sIgA immunoglobulins from human milk

Andrew N Savel'ev, Tat'yana G Kanyshkova, Anna A Kulminskaya, Valentina N Buneva, Elena V Eneyskaya, Michael V Filatov, Georgy A Nevinsky, Kirill N Neustroev

Journal:

Clinica Chimica Acta

Year:

2001

Language:

english

File:

PDF, 167 KB

english, 2001

52

Camptothecin enhances random integration of transfected DNA into the genome of mammalian cells

Olga G Shcherbakova, Michael V Filatov

Journal:

Biochimica et Biophysica Acta (BBA) - Molecular Cell Research

Year:

2000

Language:

english

File:

PDF, 150 KB

english, 2000

53

Overexpression of bacterial RecA protein stimulates homologous recombination in somatic mammalian cells

Olga G Shcherbakova, Vladislav A Lanzov, Hideyuki Ogawa, Michael V Filatov

Journal:

Mutation Research/DNA Repair

Year:

2000

Language:

english

File:

PDF, 132 KB

english, 2000

54

SANS spectra of the fractal supernucleosomal chromatin structure models

Ilatovskiy, Andrey V, Lebedev, Dmitry V, Filatov, Michael V, Petukhov, Michael G, Isaev-Ivanov, Vladimir V

Journal:

Journal of Physics Conference Series

Year:

2012

Language:

english

File:

PDF, 2.22 MB

english, 2012

55

Shifts in the ESR Spectra of Alkali-Metal Atoms (Li, Na, K, Rb) on Helium Nanodroplets

Hauser, Andreas W., Gruber, Thomas, Filatov, Michael, Ernst, Wolfgang E.

Journal:

Year:

2013

Language:

english

File:

PDF, 834 KB

english, 2013

56

Representation of the exact relativistic electronic Hamiltonian within the regular approximation

Filatov, Michael, Cremer, Dieter

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 486 KB

english, 2003

57

Relativistically corrected nuclear magnetic resonance chemical shifts calculated with the normalized elimination of the small component using an effective potential-NMR chemical shifts of molybdenum and tungsten

Filatov, Michael, Cremer, Dieter

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 522 KB

english, 2003

58

“Naked” Mono- and Dianions of Corannulene with Lithium Counterions

Spisak, Sarah N., Zabula, Alexander V., Ferguson, Michael V., Filatov, Alexander S., Petrukhina, Marina A.

Journal:

Organometallics

Year:

2013

Language:

english

File:

PDF, 1.27 MB

english, 2013

59

Removal of Mercury from the Environment: A Quantum-Chemical Study with the Normalized Elimination of the Small Component Method

Zou, Wenli, Filatov, Michael, Atwood, David, Cremer, Dieter

Journal:

Inorganic Chemistry

Year:

2013

Language:

english

File:

PDF, 654 KB

english, 2013

60

DFT Approach to the Calculation of Mössbauer Isomer Shifts

Kurian, Reshmi, Filatov, Michael

Journal:

Journal of Chemical Theory and Computation

Year:

2008

Language:

english

File:

PDF, 57 KB

english, 2008

61

Spin-orbit coupling calculations with the two-component normalized elimination of the small component method

Filatov, Michael, Zou, Wenli, Cremer, Dieter

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 549 KB

english, 2013

62

A new gradient-corrected exchange-correlation density functional

FILATOV, MICHAEL, THIEL, WALTER

Journal:

Molecular Physics

Year:

1997

Language:

english

File:

PDF, 266 KB

english, 1997

63

A Model “Rebound” Mechanism of Hydroxylation by Cytochrome P450: Stepwise and Effectively Concerted Pathways, and Their Reactivity Patterns

Ogliaro, François, Harris, Nathan, Cohen, Shimrit, Filatov, Michael, de Visser, Samuël P., Shaik, Sason

Journal:

Journal of the American Chemical Society

Year:

2000

Language:

english

File:

PDF, 284 KB

english, 2000

64

Assessment of Density Functional Theory for Describing the Correlation Effects on the Ground and Excited State Potential Energy Surfaces of a Retinal Chromophore Model

Huix-Rotllant, Miquel, Filatov, Michael, Gozem, Samer, Schapiro, Igor, Olivucci, Massimo, Ferré, Nicolas

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 877 KB

english, 2013

65

Understanding the dynamics behind photoisomerization of light-driven molecular rotary motors

Filatov, Michael

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Year:

2013

Language:

english

File:

PDF, 546 KB

english, 2013

66

Can Unrestricted Density-Functional Theory Describe Open Shell Singlet Biradicals?

Gräfenstein, Jürgen, Kraka, Elfi, Filatov, Michael, Cremer, Dieter

Journal:

International Journal of Molecular Sciences

Year:

2002

Language:

english

File:

PDF, 242 KB

english, 2002

67

Palladium superoxido complexes. In what way (? or ?) is O2 ? co-ordinated? A quantum chemical approach

Filatov, Michael J., Talsi, Eugeni P., Gritsenko, Oleg V., Zhidomirov, George M., Zamaraev, Kirill I.

Journal:

Journal of the Chemical Society Dalton Transactions

Year:

1990

Language:

english

File:

PDF, 534 KB

english, 1990

68

Calibration of 57Fe isomer shift from ab initio calculations: can theory and experiment reach an agreement?

Kurian, Reshmi, Filatov, Michael

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.07 MB

english, 2010

69

Relativistically corrected hyperfine structure constants calculated with the regular approximation applied to correlation corrected ab initio theory

Filatov, Michael, Cremer, Dieter

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 210 KB

english, 2004

70

Carbonate formation within a nickel dimer: synthesis of a coordinatively unsaturated bis(μ-hydroxo) dinickel complex and its reactivity toward carbon dioxide

Wikstrom, Jeffrey P., Filatov, Alexander S., Mikhalyova, Elena A., Shatruk, Michael, Foxman, Bruce M., Rybak-Akimova, Elena V.

Journal:

Dalton Transactions

Year:

2010

Language:

english

File:

PDF, 510 KB

english, 2010

71

Designing Conical Intersections for Light-Driven Single Molecule Rotary Motors: From Precessional to Axial Motion

Filatov, Michael, Olivucci, Massimo

Journal:

Journal of Organic Chemistry

Year:

2014

Language:

english

File:

PDF, 732 KB

english, 2014

72

Theoretical Investigation of Two-State-Reactivity Pathways of H−H Activation by FeO + : Addition−Elimination, “Rebound”, and Oxene-Insertion Mechanisms

Filatov, Michael, Shaik, Sason

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 166 KB

english, 1998

73

Dirac-exact relativistic methods: the normalized elimination of the small component method

Cremer, Dieter, Zou, Wenli, Filatov, Michael

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Year:

2014

Language:

english

File:

PDF, 667 KB

english, 2014

74

Experimental and Computational Studies of the Neutral and Reduced States of Indeno[1,2- b ]fluorene

Rose, Bradley D., Sumner, Natalie J., Filatov, Alexander S., Peters, Steven J., Zakharov, Lev N., Petrukhina, Marina A., Haley, Michael M.

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 2.98 MB

english, 2014

75

Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection

Gozem, Samer, Melaccio, Federico, Valentini, Alessio, Filatov, Michael, Huix-Rotllant, Miquel, Ferré, Nicolas, Frutos, Luis Manuel, Angeli, Celestino, Krylov, Anna I., Granovsky, Alexander A., Lindh,

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 1.93 MB

english, 2014

76

A Theoretical Study of the Radiationless Decay Mechanism of Cyclic Alkenes in the Lowest Triplet State

Woeller, Markus, Grimme, Stefan, Peyerimhoff, Sigrid D., Danovich, David, Filatov, Michael, Shaik, Sason

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 151 KB

english, 2000

77

Surface Hopping Excited-State Dynamics Study of the Photoisomerization of a Light-Driven Fluorene Molecular Rotary Motor

Kazaryan, Andranik, Lan, Zhenggang, Schäfer, Lars V., Thiel, Walter, Filatov, Michael

Journal:

Journal of Chemical Theory and Computation

Year:

2011

Language:

english

File:

PDF, 3.38 MB

english, 2011

78

Excitation Energies from Spin-Restricted Ensemble-Referenced Kohn−Sham Method: A State-Average Approach †

Kazaryan, Andranik, Heuver, Jeroen, Filatov, Michael

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.30 MB

english, 2008

79

Bowl-Shaped Polyarenes as Concave–Convex Shape Complementary Hosts for C 60 - and C 70 -Fullerenes

Filatov, Alexander S., Ferguson, Michael V., Spisak, Sarah N., Li, Bo, Campana, Charles F., Petrukhina, Marina A.

Journal:

Crystal Growth & Design

Year:

2014

Language:

english

File:

PDF, 4.54 MB

english, 2014

80

Tetramethyleneethane (TME) Diradical: Experiment and Density Functional Theory Reach an Agreement

Filatov, Michael, Shaik, Sason

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 79 KB

english, 1999

81

Restricted Ensemble-Referenced Kohn−Sham versus Broken Symmetry Approaches in Density Functional Theory: Magnetic Coupling in Cu Binuclear Complexes †

Moreira, Ibério de P. R., Costa, Ramon, Filatov, Michael, Illas, Francesc

Journal:

Journal of Chemical Theory and Computation

Year:

2007

Language:

english

File:

PDF, 93 KB

english, 2007

82

Density Functional Study of the Ground and Excited State Potential Energy Surfaces of a Light-Driven Rotary Molecular Motor (3 R ,3′ R )-( P , P )- trans -1,1′,2,2′,3,3′,4,4′-Octahydro-3,3′-dimethyl-4,4′-biphenanthrylidene †

Kazaryan, Andranik, Filatov, Michael

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.11 MB

english, 2009

83

Assessment of Density Functional Methods for Obtaining Geometries at Conical Intersections in Organic Molecules

Filatov, Michael

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 4.60 MB

english, 2013

84

Analytic Calculation of Contact Densities and Mössbauer Isomer Shifts Using the Normalized Elimination of the Small-Component Formalism

Filatov, Michael, Zou, Wenli, Cremer, Dieter

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 521 KB

english, 2012

85

Understanding the Dynamics Behind the Photoisomerization of a Light-Driven Fluorene Molecular Rotary Motor

Kazaryan, Andranik, Kistemaker, Jos C. M., Schäfer, Lars V., Browne, Wesley R., Feringa, Ben L., Filatov, Michael

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 3.31 MB

english, 2010

86

Analytic Calculation of Isotropic Hyperfine Structure Constants Using the Normalized Elimination of the Small Component Formalism

Filatov, Michael, Zou, Wenli, Cremer, Dieter

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 268 KB

english, 2012

87

No-Pair Bonding in Coinage Metal Dimers †

Danovich, David, Filatov, Michael

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 680 KB

english, 2008

88

Diradicaloids: Description by the Spin-Restricted, Ensemble-Referenced Kohn−Sham Density Functional Method

Filatov, Michael, Shaik, Sason

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 184 KB

english, 2000

89

Development, Implementation, and Application of an Analytic Second Derivative Formalism for the Normalized Elimination of the Small Component Method

Zou, Wenli, Filatov, Michael, Cremer, Dieter

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 521 KB

english, 2012

90

Bonding in the ClOO(2A?) and BrOO(2A?) radical: Nonrelativistic single-reference versus relativistic multi-reference descriptions in density functional theory

Filatov, Michael, Cremer, Dieter

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 165 KB

english, 2003

91

On the physical meaning of the ZORA Hamiltonian

FILATOV, MICHAEL, CREMER, DIETER

Journal:

Molecular Physics

Year:

2003

Language:

english

File:

PDF, 641 KB

english, 2003

92

A theoretical study of electronic factors affecting hydroxylation by model ferryl complexes of cytochrome P-450 and horseradish peroxidase

Filatov, Michael, Harris, Nathan, Shaik, Sason

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1999

Language:

english

File:

PDF, 526 KB

english, 1999

93

Bonding in radon hexafluoride: An unusual relativistic problem?

Filatov, Michael, Cremer, Dieter

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 84 KB

english, 2003

94

Myers–Saito and Schmittel cyclization of hepta-1,2,4-triene-6-yne: A theoretical REKS study

de Visser, Sam P., Filatov, Michael, Shaik, Sason

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 142 KB

english, 2001

95

Antiferromagnetic interactions in the quarter-filled organic conductor (EDO-TTF)2PF6

Filatov, Michael

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.82 MB

english, 2011

96

REKS calculations on ortho-, meta- and para-benzyne

de Visser, Sam P., Filatov, Michael, Shaik, Sason

Journal:

Physical Chemistry Chemical Physics

Year:

2000

Language:

english

File:

PDF, 131 KB

english, 2000

97

Calculation of response properties with the normalized elimination of the small component method

Filatov, Michael, Zou, Wenli, Cremer, Dieter

Journal:

International Journal of Quantum Chemistry

Year:

2014

Language:

english

File:

PDF, 216 KB

english, 2014

98

Description of electron transfer in the ground and excited states of organic donor–acceptor systems by single-reference and multi-reference density functional methods

Filatov, Michael

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 599 KB

english, 2014

99

Assessment of approximate computational methods for conical intersections and branching plane vectors in organic molecules

Nikiforov, Alexander, Gamez, Jose A., Thiel, Walter, Huix-Rotllant, Miquel, Filatov, Michael

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.89 MB

english, 2014

100

A gauge-independent zeroth-order regular approximation to the exact relativistic Hamiltonian—Formulation and applications

Filatov, Michael, Cremer, Dieter

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 328 KB

english, 2005