D. Sülzle

发表

Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules

Klaus-Robert Müller, Sebastian Mika, Anton Schwaighofer, 2007, J. Comput. Aided Mol. Des..

Accurate Solubility Prediction with Error Bars for Electrolytes: A Machine Learning Approach

Klaus-Robert Müller, Sebastian Mika, Anton Schwaighofer, 2007, J. Chem. Inf. Model..

Theoretical study of stationary points of the MgSiO3 molecule

D. Sülzle, A. Patzer, Ch. Chang, 2002 .

Sphericity: a geometric approach to the internal rotation of C2H6, H2O2, and N2H4

D. Sülzle, E. Sedlmayr, A. Patzer, 2002 .

Neutralization-reionization mass spectrometry as a novel probe to structurally characterize organic ligands generated in the Fe(I)-mediated oligomerization of acetylene in the gas phase

D. Sülzle, D. Bohme, H. Schwarz, 1991 .

Remote Functionalization of Carbon-Hydrogen and Carbon-Carbon Bonds by Bare Transition Metal Ions in the Gas Phase

D. Sülzle, C. Lebrilla, H. Schwarz, 1989 .

Onion-like inorganic fullerenes of icosahedral symmetry

T. Steinke, D. Sülzle, E. Sedlmayr, 2006 .

A density functional study of small (AlN) x clusters: structures, energies, and frequencies

T. Steinke, D. Sülzle, E. Sedlmayr, 2001 .

Cationic and neutral nitrosamide : viable molecules in the dilute gas phase

D. Sülzle, L. Carlsen, H. Schwarz, 1992 .

The Infrared, Raman and NMR Spectra of Hexamethylene Triperoxide Diamine.

D. Sülzle, D. L. Powell, H. Hopf, 1988 .

Beam Experiments as a Means for the Generation of Elusive Sulfur-Containing Molecules

D. Sülzle, H. Schwarz, T. Drewello, 1990 .

A mass-spectrometric investigation of CxNO2 (x = 1,2) ions and neutrals

D. Sülzle, H. Schwarz, P. E. O'bannon, 1992 .

The generation and identification of triplet vinylidene, [H2CC]:, by neutralization-reionization mass spectrometry

D. Sülzle, H. Schwarz, 1989 .

Vibrational spectra and conformations of chloro‐ and bromo‐cyclobutane

D. Sülzle, D. L. Powell, C. Nielsen, 1989 .

New Tungsten Cluster Based Contrast Agents for X-ray Computed Tomography

D. Sülzle, M. Schäfer, T. Frenzel, 2014, Journal of Cluster Science.

On the Generation of Polycarbon Nitride Radicals CnN. (n = 2–5) by Neutralization‐Reionization Mass Spectrometry

D. Sülzle, H. Schwarz, H. Hopf, 1991 .

Synthesis and Structure of a New Macrocyclic Polyhydroxylated Gadolinium Chelate Used as a Contrast Agent for Magnetic Resonance Imaging.

D. Sülzle, A. Müller-Fahrnow, P. Luger, 1997, Inorganic chemistry.

Ab initio thermodynamic properties for different isomers of the AlO molecule

D. Sülzle, E. Sedlmayr, A. Patzer, 1999 .

Fluorinated dihydroquinolines as potent n-NOS inhibitors.

D. Sülzle, S. Jaroch, H. Rehwinkel, 2004, Bioorganic & medicinal chemistry letters.

Reactions of carbenes with anions

D. Sülzle, 1987 .

Hafnium-Based Contrast Agents for X-ray Computed Tomography.

D. Sülzle, T. Frenzel, G. Jost, 2017, Inorganic Chemistry.

On the existence of novel nitrides and oxides of copper; CuN, CuO2 and CuNO

D. Sülzle, H. Schwarz, J. K. Terlouw, 1991 .

Dihydroquinolines with amine-containing side chains as potent n-NOS inhibitors.

D. Sülzle, S. Jaroch, H. Rehwinkel, 2003, Bioorganic & medicinal chemistry letters.

Kinetic Isotope Effects and exo/endo-Face Selectivity in the Unimolecular Dehydrogenation of Norborneol Alkoxides in the Gas Phase†

D. Sülzle, H. Schwarz, U. Dreyer, 1990 .

Characterization of Nitrosocarbonyl Compounds by Neutralization‐Reionization Mass Spectrometry

D. Sülzle, H. Schwarz, P. E. O'bannon, 1991 .

Experiments aimed at generating the long-sought-after ethylenedione (OCCO) by neutralizationreionization mass spectrometry

D. Sülzle, H. Schwarz, T. Weiske, 1993 .

The laboratory generation of potentially interstellar cumulenes S(Cn)S (n = 2–6) and their radical cations

D. Sülzle, H. Schwarz, E. Fanghänel, 1990 .

CCS and S(C4)S: The laboratory generation of interstellar molecules and their radical cations

D. Sülzle, H. Schwarz, 1989 .

Vibrational spectra and conformations of 1, 4-dibromobut-2-yne and 1,4-diiodobut-2-yne

D. Sülzle, C. Nielsen, A. Karlsson, 1992 .

Generation and characterization of neutral and cationic 3-sila-cyclopropenylidene in the gas phase : description of a new BEBE tandem mass spectrometer

D. Sülzle, H. Schwarz, T. Weiske, 1991 .

Mass spectrometric identification of PS3−, PS3+ and PS3•

D. Sülzle, H. Schwarz, R. Srinivas, 1991 .

On the generation and identification of stable HCN/Cu(0) and HCN/Cu(0) complexes in the gas phase using neutralization/reionization mass spectrometry (NRMS)

D. Sülzle, H. Schwarz, K. Eller, 1989 .

A density functional study of small AlxOy (x,y=1-4) clusters and their thermodynamic properties

D. Sülzle, E. Sedlmayr, A. Patzer, 2005 .

Fab MOR03268 triggers absorption shift of a diagnostic dye via packaging in a solvent-shielded Fab dimer interface.

D. Svergun, D. Sülzle, A. Menrad, 2008, Journal of molecular biology.

Stereochemical Criteria Providing Unambiguous Experimental Evidence for the intermediacy of ion/molecule complexes in the generation of enolates from gaseous alkoxides. Short communication†

D. Sülzle, H. Schwarz, 1989 .

Experimental evidence for the conservation of an intact carbon skeleton and the intermediacy of a

D. Sülzle, H. Schwarz, D. Schröder, 1992 .

Dihydroquinolines as novel n-NOS inhibitors.

D. Sülzle, S. Jaroch, H. Rehwinkel, 2002, Bioorganic & medicinal chemistry letters.

Mass‐spectrometric characterization of isomeric NNCCN and NCNCN Ions and neutrals

D. Sülzle, H. Schwarz, C. A. Muedas, 1992 .

Structural characterization and distinction of isobaric NCCCO− and NCCNN− and their neutral analogues in the gas phase

D. Sülzle, H. Schwarz, C. A. Muedas, 1992 .

The gas-phase generation and characterization of butatrienylidene H2CCCC: by neutralization—reionization mass spectrometry

D. Sülzle, H. Schwarz, Norman Goldberg, 1993 .

Gas‐Phase Thermolysis, 14. On the Isomerization of Dimethyl Carbonate and Its Mono‐, Di‐, and Trithio Analogs

D. Sülzle, L. Carlsen, H. Schwarz, 1991 .

Unimolecular loss of molecular nitrogen from metastable dicyanoacetylene radical cation (NCCCN+[radical sign]

D. Sülzle, H. Schwarz, H. Hopf, 1991 .

The Search For Elusive Potentially Interstellar Neutrals by Neutralization-Reionization Mass Spectrometry: Polycarbon Chalcogenides X(Cn)Y (X, Y: O, S)

D. Sülzle, H. Schwarz, 1991 .

Synthesis and Physicochemical Characterization of a New Gadolinium Chelate: The Liver-Specific Magnetic Resonance Imaging Contrast Agent Gd-EOB-DTPA.

D. Sülzle, A. Müller-Fahrnow, H. Schmitt-Willich, 1999, Inorganic chemistry.

Vibrational spectra of seven halomethanes

D. Sülzle, V. Šablinskas, C. Nielsen, 1992 .

A density functional study of small Ti x C y (x, y = 1-4) molecules and their thermochemical properties

D. Sülzle, A. Patzer, Ch. Chang, 2014 .

Generation of C6S6 and its radical anion and cation in the gas phase

D. Sülzle, H. Schwarz, E. Fanghänel, 1989 .

Computational evidence for stable inorganic fullerene-like structures of ceramic and semiconductor materials

T. Steinke, D. Sülzle, E. Sedlmayr, 2001 .

Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules

K. Müller, S. Mika, T. Schroeter, 2007, Journal of computer-aided molecular design.