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33 research outputs found

Parameterization and optimization of the menthol force field for molecular dynamics simulations

Author: A Pedretti
AE Reed
B Hess
B Hess
B Hess
B Szefczyk
BL Bhargava
Borys Szefczyk
C Bicchi
CM Breneman
DP Geerke
EJ Maginn
G Popov
G Raffaini
H Oertling
HJC Berendsen
J Härtner
J Pernak
J Pernak
J Pernak
J Schmidt
JA Farco
JF Ruggera
JL McCann
JS Medina
K Wendler
LC Cusachs
M Parrinello
Mateusz Jasik
N Sieffert
PO Löwdin
RF Bader
S Nosé
SV Sambasivarao
T Patel
TGA Youngs
TI Morrow
WB Smith
WG Hoover
WL Jorgensen
WL Jorgensen
WL Jorgensen
Publication venue: 'Springer Science and Business Media LLC'
Publication date
Field of study

Mögliche Auswirkungen von Klimaänderungen auf die Vegetationsentwicklung in Küsten-Salzrasen

Author: A Gigon
A Jensen
AP Grootjans
H Lassen
K Dierßen
K Henriksen
RN Buchsbaum
RN Buchsbaum
T Höpner
W Oertling
WHO Ernst
Publication venue: 'Springer Science and Business Media LLC'
Publication date: 01/01/1993
Field of study

Reaction of cyanide with cytochrome ba3 from Thermus thermophilus: spectroscopic characterization of the Fe(II)a3-CN.Cu(II)B-CN complex suggests four 14N atoms are coordinated to CuB.

Author: B. M. Hoffman
C. Fan
J. A. Fee
K. K. Surerus
O. Einarsdottir
R. B. Dyer
R. J. Gurbiel
W. A. Oertling
W. E. Antholine
W. H. Woodruff
Publication venue: 'Proceedings of the National Academy of Sciences'
Publication date
Field of study

Structural Distortion of the Vanadyltetraphenylporphine Anion Radical Probed by Resonance Raman Spectroelectrochemistry

Author: Anxolabéhère
Atamian M.
Bell S. E. J.
Bell S. E. J.
Burgi H.
Clack D. W.
Clark R. J. H.
Closs G. L.
Czernuszewicz R. S.
Czernuszewicz R. S.
Donohoe R. J.
Drew M. G. B.
Felton R. H.
Ferraro J. R.
Frew J. E.
Hashimoto S.
Hu S.
Kadish K. M.
Kadish K. M.
Kadish K. M.
Kim D.
Kumble R.
Kumble R.
Li X.-Y.
Lin M.
Lindsey J. S.
Lindsey J. S.
Macor K. A.
Mukherjee A.
Oertling W. A.
Oertling W. A.
Oertling W. A.
Prendergast K.
Reed R. A.
Salehi A.
Sato S.
Seely G. R.
Sekino H.
Seth J.
Spiro T. G.
Spiro T. G.
Su Y. O.
Vitols S. E.
Waters V. A.
Yamaguchi H.
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

Time-resolved and static resonance Raman spectroscopy of horseradish peroxidase intermediates

Time-Resolved Resonance Raman and Time-Resolved Step-Scan FTIR Studies of Nitric Oxide Reductase from Paracoccus denitrificans

Author: Abbreviations NOR
Dyer R. B.
Dyer R. B.
Findsen E. W.
Giuffrè A.
Hendler R. W.
Hendriks J.
Hendriks J. H. M.
Hendriks J. H. M.
Koutsoupakis K.
Koutsoupakis K.
Moënne-Loccoz P.
Oertling W. A.
Pinakoulaki E.
Pinakoulaki E.
Pinakoulaki E.
Pinakoulaki E.
Pinakoulaki E.
Rost B.
Rousseau D. L.
Schelvis H.
Stavrakis S.
Stavrakis S.
Stavrov S.
Stavrov S.
Varotsis C.
Varotsis C.
Varotsis C.
Woodruff W. H.
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

Active Site Structures and Catalytic Mechanism of Rhodobacter sphaeroides

Author: Bastian N. R.
Bennett B.
Benson N.
Boyington J. C.
Centeno J. A.
Clark R. J. H.
Collin R. J.
Drozdzewski P. M.
Fabian H.
Finnegan M. G.
Garton S. D.
George G. N.
Gruber S.
Herschbach D. R.
Hilton J. C.
Huber R.
Kilpatrick L.
Knäblein J.
Koehler B. P.
McEwan A. G.
Nakamoto K.
Oertling W. A.
Okrusek A.
Oku H.
Peterson J.
Pollock V. V.
Romao M. J.
Schindelin H.
Schläpfer C. W.
Schneider F.
Schultz B. E.
Subramanian P.
Ueyama N.
Zhelyaskov V.
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

Binding of Nitric Oxide and Carbon Monoxide to Soluble Guanylate Cyclase As Observed with Resonance Raman Spectroscopy

Room Temperature Binding of CO to Cobaltous Porphyrin π Cation Radical: Spectroscopic Characterization of Mono and Bis CO Complexes with Cobaltic Porphyrin

Author: Abe M.
Antonini E.
Bajdor K.
Bajdor K.
Barlow C. H.
Bruha A.
Callahan P. M.
Collman J. P.
Collman J. P.
Czernuszewicz R. S.
Dolphin D.
Eaton S. S.
Falk J.
Felton R. H.
For
Fuhrhop J.-H.
Godziela G. M.
Groves J.
Herlinger A. W.
Hofmann J. A.
Hu Y.
James B.
Jones L. H.
Jones R. D.
Kim D.
Kincaid J. R.
Kitagawa T.
Kozuka M.
Li X.
Li X.-Y.
Li X.-Y.
Liu H.-Y.
Mackin H. C.
Morishima I.
Mu X. H.
Nakamoto
Nakamoto K.
Neya S.
Odo J.
Oertling W. A.
Oertling W. A.
Parthasarathi N.
Potter W. T.
Prendergast K.
Proniewicz L. M.
Proniewicz L. M.
Proniewicz L. M.
Salehi A.
Sandusky P. O.
Sandusky P. O.
Sarma Y. A.
Scheidt W. R.
Schulz C. E.
Shelnutt J. A.
Shelnutt J. A.
Spaulding L. D.
Spiro T. G.
Stynes D. V.
Summers J. S.
Tait C. D.
Thompson H. M.
Tsubaki M.
Tsutsui M.
Urban M. W.
Wang C. B.
Wang M.-Y. R.
Wayland B. B.
Wayland B. B.
Wayland B. B.
Whitten D. G.
Woodruff W. H.
Woodruff W. H.
Yu N.-T.
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

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