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Results: 1149

Till von Feilitzsch, Jennifer Tuma, Heike Neubauer, Laurent Verdier, Reinhard Haselsberger, Reiner Feick, Gagik G. Gurzadyan, Alexander A. Voityuk, Christian Griesinger, Maria E. Michel-Beyerle
Chromophore/DNA Interactions:  Femto- to Nanosecond Spectroscopy, NMR Structure, and Electron Transfer Theory
J. Phys. Chem. B, 2008, 112, 973-989
DOI: 10.1021/jp076405o

Alexander A. Voityuk, Miquel Duran
Buckycatcher. A New Opportunity for Charge-Transfer Mediation?
J. Phys. Chem. C, 2008, 112, 1672-1678
DOI: 10.1021/jp075209e

Samat Tussupbayev, Sergei F. Vyboishchikov
Computational Study of the C−H Bond Activation in Ethylene on a Binuclear Ruthenium Complex
Organometallics, 2008, 27, 3681-3692
DOI: 10.1021/om7012309

J. Oscar C. Jiménez-Halla, Juvencio Robles, Miquel Solà
Intramolecular Haptotropic Rearrangements of the Tricarbonylchromium Complex in Small Polycyclic Aromatic Hydrocarbons
Organometallics, 2008, 27, 5230-5240
DOI: 10.1021/om800505j

Nenad Juranicń, J.J. Dannenberg, Gabriel Cornilescu, Pedro Salvador, Elena Atanasova, Hee-Chul Ahn, Slobodan Macura, John L. Markley, Franklyn G. Prendergast
Structural dependencies of protein backbone
Protein Sci., 2008, 17, 768-776
DOI: 10.1110/ps.073331608

Ana Gallegos Saliner, Albert Poater, Nina Jeliazkova, Grace Patlewicz, Andrew P. Worth
Toxmatch—A chemical classification and activity prediction tool based on similarity measures
Regulatory Toxicology and Pharmacology, 2008, 52, 77-84
DOI: 10.1016/j.yrtph.2008.05.012

Bernard Kirtman, Josep M. Luis
Simple finite field nuclear relaxation method for calculating vibrational contribution to degenerate four-wave mixing
The Journal of Chemical Physics, 2008, 128, 114101-
DOI: 10.1063/1.2889950
Keywords: Ab initio theory, Computational chemistry, Method development, Nonlinear optical properties

SergeiF. Vyboishchikov, Andreas Krapp, Gernot Frenking
Two complementary molecular energy decomposition schemes: The Mayer and Ziegler–Rauk methods in comparison
The Journal of Chemical Physics, 2008, 129, 144111-
DOI: 10.1063/1.2989805

Lluís Blancafort
Energetics of Cytosine Singlet Excited-State Decay Paths-A Difficult Case for CASSCF and CASPT2
[], 2007, 83, 603-610
DOI: 10.1562/2006-05-29-RA-903

Andrey Y. Khalimon, ZiHua Lin, R. Simionescu, Sergei F. Vyboishchikov, Georgii I. Nikonov
Persistent Silylium Ions Stabilized by Polyagostic SiH⋅⋅⋅Si Interactions
Angew. Chem. Int. Ed., 2007, 46, 4530-4533
DOI: 10.1002/anie.200604258

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