Publications
2007
K.A.
Henzler-Wildman,
V.
Thai,
M.
Lei,
M.
Ott,
M.
Wolf-Watz,
T.
Fenn,
E.
Pozharski,
M.A.
Wilson,
G.A.
Petsko,
M.
Karplus,
C.G.
Hübner, and
D.
Kern,
Intrinsic motions along an enzymatic reaction trajectory, Nature , vol. 450, no. 7171, pp. 838--844, 2007.
Intrinsic motions along an enzymatic reaction trajectory, Nature , vol. 450, no. 7171, pp. 838--844, 2007.
Y.
Garcia,
H.
Paulsen,
V.
Schünemann,
A.X.
Trautwein, and
J.A.
Wolny,
Estimate of the vibrational contribution to the entropy change associated with the spin transition in the d4 systems [MnIII(pyrol) 3tren] and [CrII(depe)2I2], Physical Chemistry Chemical Physics , vol. 9, no. 10, pp. 1194--1201, 2007.
Estimate of the vibrational contribution to the entropy change associated with the spin transition in the d4 systems [MnIII(pyrol) 3tren] and [CrII(depe)2I2], Physical Chemistry Chemical Physics , vol. 9, no. 10, pp. 1194--1201, 2007.
Y
Garcia,
H
Paulsen,
V
Schünemann,
A X
Trautwein, and
J A
Wolny,
Estimate of the vibrational contribution to the entropy change associated with the spin transition in the d(4) systems [Mn (III)(pyrol)(3)tren] and [Cr-II(depe) I-2(2)], Physical Chemistry Chemical Physics , vol. 9, no. 10, pp. 1194--1201, 2007.
Estimate of the vibrational contribution to the entropy change associated with the spin transition in the d(4) systems [Mn (III)(pyrol)(3)tren] and [Cr-II(depe) I-2(2)], Physical Chemistry Chemical Physics , vol. 9, no. 10, pp. 1194--1201, 2007.
H.-P. P
Hersleth,
T.
Uchida,
A K
Rohr,
T.
Teschner,
V
Schuenemann,
T.
Kitagawa,
A.X. X
Trautwein,
C H
Gorbitz,
K.K. K
Andersson,
Å.K.
Røhr,
V.
Schünemann, and
C.H.
Görbitz,
Crystallographic and spectroscopic studies of peroxide-derived myoglobin compound II and occurrence of protonated Fe-IV-O, Journal of Biological Chemistry , vol. 282, no. 32, pp. 23372--23386, 2007.
Crystallographic and spectroscopic studies of peroxide-derived myoglobin compound II and occurrence of protonated Fe-IV-O, Journal of Biological Chemistry , vol. 282, no. 32, pp. 23372--23386, 2007.
Damien
Faivre,
Lars H
Böttger,
Berthold F
Matzanke, and
Dirk
Schüler,
Intracellular Magnetite Biomineralization in Bacteria Proceeds by a Distinct Pathway Involving Membrane-Bound Ferritin and an Iron(II) Species, Angewandte Chemie International Edition , vol. 46, no. 44, pp. 8495--8499, 2007.
Intracellular Magnetite Biomineralization in Bacteria Proceeds by a Distinct Pathway Involving Membrane-Bound Ferritin and an Iron(II) Species, Angewandte Chemie International Edition , vol. 46, no. 44, pp. 8495--8499, 2007.
2006
V
Schünemann,
C
Jung,
A X
Trautwein, and
F
Lendzian,
Reaction intermediates in NO synthases and cytochrome P450, Abstracts of Papers of the American Chemical Society , vol. 231, pp. 2, 2006.
Reaction intermediates in NO synthases and cytochrome P450, Abstracts of Papers of the American Chemical Society , vol. 231, pp. 2, 2006.
A
Ahmedova,
V
Rusanov,
A
Hazell,
J A
Wolny,
G
Gochev,
A X
Trautwein, and
M
Mitewa,
X-ray and Fe-57 Mössbauer study on a Fe(III) complex of 2-acetyl-1,3-indandione, Inorganica Chimica Acta , vol. 359, no. 10, pp. 3123--3128, 2006.
X-ray and Fe-57 Mössbauer study on a Fe(III) complex of 2-acetyl-1,3-indandione, Inorganica Chimica Acta , vol. 359, no. 10, pp. 3123--3128, 2006.
A.
Ahmedova,
V.
Rusanov,
A.
Hazell,
J.A.
Wolny,
G.
Gochev,
A.X.
Trautwein, and
M.
Mitewa,
X-ray and 57Fe Mössbauer study on a Fe(III) complex of 2-acetyl-1,3-indandione, Inorganica Chimica Acta , vol. 359, no. 10, pp. 3123--3128, 2006.
X-ray and 57Fe Mössbauer study on a Fe(III) complex of 2-acetyl-1,3-indandione, Inorganica Chimica Acta , vol. 359, no. 10, pp. 3123--3128, 2006.
K.L.
Ronayne,
H.
Paulsen,
A.
Höfer,
A.C.
Dennis,
J.A.
Wolny,
A.I.
Chumakov,
V.
Schünemann,
H.
Winkler,
H.
Spiering,
A.
Bousseksou,
A.X.
Trautwein, and
J.J.
McGarvey,
Vibrational spectrum of the spin crossover complex [Fe(phen) 2(NCS)2] studied by IR and Raman spectroscopy, nuclear inelastic scattering and DFT calculations, Physical Chemistry Chemical Physics , vol. 8, no. 40, pp. 4685--4693, 2006.
Vibrational spectrum of the spin crossover complex [Fe(phen) 2(NCS)2] studied by IR and Raman spectroscopy, nuclear inelastic scattering and DFT calculations, Physical Chemistry Chemical Physics , vol. 8, no. 40, pp. 4685--4693, 2006.
Richard Börner,
Verifikation zweidimensionaler Dosisverteilungen mithilfe des Beam Image Systems von Wellhöfer, Thesis, 2006.
Verifikation zweidimensionaler Dosisverteilungen mithilfe des Beam Image Systems von Wellhöfer, Thesis, 2006.
R.W.
Saalfrank,
A.
Scheurer,
I.
Bernt,
F.W.
Heinemann,
A.V.
Postnikov,
V.
Schünemann,
A.X.
Trautwein,
M.S.
Alam,
H.
Rupp, and
P.
Müller,
The FeIII[FeIII(L1)2] 3 star-type single-molecule magnet, Dalton Transactions , no. 23, pp. 2865--2874, 2006.
The FeIII[FeIII(L1)2] 3 star-type single-molecule magnet, Dalton Transactions , no. 23, pp. 2865--2874, 2006.
R W
Saalfrank,
A
Scheurer,
I
Bernt,
F W
Heinemann,
A V
Postnikov,
V
Schünemann,
A X
Trautwein,
M S
Alam,
H
Rupp, and
P
Müller,
The Fe-III[Fe-III(L-1)(2)](3) star-type single-molecule magnet, Dalton Transactions , no. 23, pp. 2865--2874, 2006.
The Fe-III[Fe-III(L-1)(2)](3) star-type single-molecule magnet, Dalton Transactions , no. 23, pp. 2865--2874, 2006.
R.W.
Saalfrank,
A.
Scheurer,
I.
Bernt,
F.W.
Heinemann,
A.V.
Postnikov,
V.
Schünemann,
A.X.
Trautwein,
M.S.
Alam,
H.
Rupp, and
P.
Müller,
The (FeIII[FeIII(L1)2]3) star-type single-molecule magnet, Journal of the Chemical Society. Dalton Transactions , no. 23, pp. 2865--2874, 2006.
The (FeIII[FeIII(L1)2]3) star-type single-molecule magnet, Journal of the Chemical Society. Dalton Transactions , no. 23, pp. 2865--2874, 2006.
R.
Prakash,
R.W.
Saalfrank,
H.
Maid,
A.
Scheurer,
F.W.
Heinemann,
A.X.
Trautwein, and
L.H.
Böttger,
Synthesis and redox properties of mixed-valent octanuclear iron defective hexacubanes and a (CaCl)-capped body-centered six-sided iron(III) polyhedron, Angewandte Chemie - International Edition , vol. 45, no. 35, pp. 5885--5889, 2006.
Synthesis and redox properties of mixed-valent octanuclear iron defective hexacubanes and a (CaCl)-capped body-centered six-sided iron(III) polyhedron, Angewandte Chemie - International Edition , vol. 45, no. 35, pp. 5885--5889, 2006.
R.W. W
Saalfrank,
R.
Prakash,
H.
Maid,
F.
Hampel,
F.W. W
Heinemann,
A.X. X
Trautwein,
L H
Böttger, and
L.H.
Böttger,
Synthesis and characterization of metal-centered, six-membered, mixed-valent, heterometallic wheels of iron, manganese, and indium, Chemistry-a European Journal , vol. 12, no. 9, pp. 2428--2433, 2006.
Synthesis and characterization of metal-centered, six-membered, mixed-valent, heterometallic wheels of iron, manganese, and indium, Chemistry-a European Journal , vol. 12, no. 9, pp. 2428--2433, 2006.
L.H.
Böttger,
A.I. I
Chumakov,
C.
{Matthias Grunert},
P.
Gütlich,
J.
Kusz,
H.
Paulsen,
U.
Ponkratz,
V.
Rusanov,
A.X. X
Trautwein,
J.A. A
Wolny,
L H
Böttger,
C M
Grunert, and
P
Gutlich,
Spin- and phase transition in the spin crossover complex [Fe(Ptz)(6)](BF4)(2) studied by nuclear inelastic scattering of synchrotron radiation and by DFT calculations, Chemical Physics Letters , vol. 429, no. 1-3, pp. 189--193, 2006.
Spin- and phase transition in the spin crossover complex [Fe(Ptz)(6)](BF4)(2) studied by nuclear inelastic scattering of synchrotron radiation and by DFT calculations, Chemical Physics Letters , vol. 429, no. 1-3, pp. 189--193, 2006.
C G
Hübner, and
T
Basché,
Optical microscopy and spectroscopy of single molecules, Lanzani, G, Eds. Wiley-VCH, 2006.
Optical microscopy and spectroscopy of single molecules, Lanzani, G, Eds. Wiley-VCH, 2006.
V.
Rusanov,
S.
Stankov,
V.
Gushterov,
L.
Tsankov, and
A.X. X
Trautwein,
Determination of Lamb-Mössbauer factors and lattice dynamics in some nitroprusside single crystals, Hyperfine Interactions , vol. 169, no. 1-3, pp. 1279--1283, 2006.
Determination of Lamb-Mössbauer factors and lattice dynamics in some nitroprusside single crystals, Hyperfine Interactions , vol. 169, no. 1-3, pp. 1279--1283, 2006.
G
Lemercier,
N
Brefuel,
S
Shova,
J A
Wolny,
F
Dahan,
M
Verelst,
H
Paulsen,
A X
Trautwein, and
J P
Tuchagues,
A range of spin-crossover temperature T-1/2 > 300 K results from out-of-sphere anion exchange in a series of ferrous materials based on the 4-(4-imidazolylmethyl)-2-(2-imidazolylmethy)imidazole (trim) ligand, [Fe(trim)(2)]X-2 (X=F, Cl, Br, I): Comparison, Chemistry-a European Journal , vol. 12, no. 28, pp. 7421--7432, 2006.
A range of spin-crossover temperature T-1/2 > 300 K results from out-of-sphere anion exchange in a series of ferrous materials based on the 4-(4-imidazolylmethyl)-2-(2-imidazolylmethy)imidazole (trim) ligand, [Fe(trim)(2)]X-2 (X=F, Cl, Br, I): Comparison, Chemistry-a European Journal , vol. 12, no. 28, pp. 7421--7432, 2006.
G.
Lemercier,
N.
Bréfuel,
S.
Shova,
J.A.
Wolny,
F.
Dahan,
M.
Verelst,
H.
Paulsen,
A.X.
Trautwein, and
J.-P.
Tuchagues,
A range of spin-crossover temperature T1/2 > 300 K results from out-of-sphere anion exchange in a series of ferrous materials based on the 4-(4-imidazolylmethyl)-2-(2-imidazolylmethyl)imidazole (trim) ligand, [Fe(trim)2]X<sub>2</i, Chemistry - A European Journal , vol. 12, no. 28, pp. 7421--7432, 2006.
A range of spin-crossover temperature T1/2 > 300 K results from out-of-sphere anion exchange in a series of ferrous materials based on the 4-(4-imidazolylmethyl)-2-(2-imidazolylmethyl)imidazole (trim) ligand, [Fe(trim)2]X<sub>2</i, Chemistry - A European Journal , vol. 12, no. 28, pp. 7421--7432, 2006.
A L
Barra,
A K
Hassan,
A
Janoschka,
C L
Schmidt, and
V
Schünemann,
Broad-band quasi-optical HF-EPR spectroscopy: Application to the study of the ferrous iron center from a rubredoxin mutant, Applied Magnetic Resonance , vol. 30, no. 3-4, pp. 385--397, 2006.
Broad-band quasi-optical HF-EPR spectroscopy: Application to the study of the ferrous iron center from a rubredoxin mutant, Applied Magnetic Resonance , vol. 30, no. 3-4, pp. 385--397, 2006.
H.
Reents,
I.
Gruner,
U.
Harmening,
L H
Böttger,
G.
Layer,
P.
Heathcote,
A.X. X
Trautwein,
D.
Jahn,
E
Hartig,
L.H.
Böttger, and
E.
Härtig,
Bacillus subtilis Fnr senses oxygen via a [4Fe-4S] cluster coordinated by three cysteine residues without change in the oligomeric state, Molecular Microbiology , vol. 60, no. 6, pp. 1432--1445, 2006.
Bacillus subtilis Fnr senses oxygen via a [4Fe-4S] cluster coordinated by three cysteine residues without change in the oligomeric state, Molecular Microbiology , vol. 60, no. 6, pp. 1432--1445, 2006.
J.A. A
Wolny,
H.
Paulsen,
H.
Winkler,
A.X. X
Trautwein, and
J.-P. P
Tuchagues,
DFT calculations as a tool to analyse quadrupole splittings of spin crossover Fe(II) complexes, Hyperfine Interactions , vol. 166, no. 1-4, pp. 495--498, 2006.
DFT calculations as a tool to analyse quadrupole splittings of spin crossover Fe(II) complexes, Hyperfine Interactions , vol. 166, no. 1-4, pp. 495--498, 2006.
V.
Rusanov,
V.
Gushterov,
H.
Winkler, and
A.X. X
Trautwein,
Iron-containing atmospheric aerosols in the Chernobyl fallout, Hyperfine Interactions , vol. 166, no. 1-4, pp. 625--630, 2006.
Iron-containing atmospheric aerosols in the Chernobyl fallout, Hyperfine Interactions , vol. 166, no. 1-4, pp. 625--630, 2006.
H.
Winkler,
V.
Rusanov,
J.J. J
McGarvey,
H.
Toftlund,
A.X. X
Trautwein, and
J.A. A
Wolny,
Light-induced spin crossover observed for a Fe(II) complex embedded in a Nafion membrane, Hyperfine Interactions , vol. 169, no. 1-3, pp. 1389--1392, 2006.
Light-induced spin crossover observed for a Fe(II) complex embedded in a Nafion membrane, Hyperfine Interactions , vol. 169, no. 1-3, pp. 1389--1392, 2006.
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