PubMed

Publication Type of Publication Year of Publication
Fullerene-carbene Lewis acid-base adducts. Journal Article 2011
Mono- and dicarbonyl-bridged tricyclic heterocyclic acceptors: synthesis and electronic properties. Journal Article 2011
Transition from tunneling to hopping transport in long, conjugated oligo-imine wires connected to metals. Journal Article 2010
Design, synthesis, and characterization of ladder-type molecules and polymers. Air-stable, solution-processable n-channel and ambipolar semiconductors for thin-film transistors via experiment and theory. Journal Article 2009
Synthesis, characterization, and transistor response of semiconducting silole polymers with substantial hole mobility and air stability. Experiment and theory. Journal Article 2008
Geometric and chelation influences on the electronic structure and optical properties of tetra(carboxylic acid)phenyleneethynylene dyes. Journal Article 2008
Prediction of the 3D structure of FMRF-amide neuropeptides bound to the mouse MrgC11 GPCR and experimental validation. Journal Article 2007
Isolation and crystal structures of two singlet bis(triarylamine) dications with nonquinoidal geometries. Journal Article 2006
Unimolecular rate constants for HX or DX elimination (X = F, Cl) from chemically activated CF3CH2CH2Cl, C2H5CH2Cl, and C2D5CH2Cl: threshold energies for HF and HCl elimination. Journal Article 2005
The MPSim-Dock hierarchical docking algorithm: application to the eight trypsin inhibitor cocrystals. Journal Article 2005
Intervalence transitions in the mixed-valence monocations of bis(triarylamines) linked with vinylene and phenylene-vinylene bridges. Journal Article 2005
High charge-carrier mobility in an amorphous hexaazatrinaphthylene derivative. Journal Article 2005
Electron affinities of 1,1-diaryl-2,3,4,5-tetraphenylsiloles: direct measurements and comparison with experimental and theoretical estimates. Journal Article 2005
Electronic coupling in tetraanisylarylenediamine mixed-valence systems: the interplay between bridge energy and geometric factors. Journal Article 2005
A mixed-valence bis(diarylamino)stilbene: crystal structure and comparison of electronic coupling with biphenyl and tolane analogues. Journal Article 2005
A molecular docking study of estrogenically active compounds with 1,2-diarylethane and 1,2-diarylethene pharmacophores. Journal Article 2004
Electronic properties of silole-based organic semiconductors. Journal Article 2004
An anionic organic mixed-valence system with a remarkably well-resolved vibrational structure in its intervalence band. Journal Article 2003
Myofilament Calcium Sensitivity: Consequences of the Effective Concentration of Troponin I. Journal Article 0
Molecular basis of calcium-sensitizing and desensitizing mutations of the human cardiac troponin C regulatory domain: a multi-scale simulation study. Journal Article 0
Modeling effects of L-type ca(2+) current and na(+)-ca(2+) exchanger on ca(2+) trigger flux in rabbit myocytes with realistic T-tubule geometries. Journal Article 0
Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character. Journal Article 0
Small optical gap molecules and polymers: using theory to design more efficient materials for organic photovoltaics. Journal Article 0
Synthesis, ionisation potentials and electron affinities of hexaazatrinaphthylene derivatives. Journal Article 0
Molecular Basis of S100A1 Activation and Target Regulation Within Physiological Cytosolic Ca(2+) Levels. Journal Article 0

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