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There are 166295 results for: content related to: Probabilistic Substructure Mining From Small-Molecule Screens

  1. Homolytic versus Heterolytic Dissociation of Alkalimetal Halides: The Effect of Microsolvation

    ChemPhysChem

    Volume 10, Issue 17, December 7, 2009, Pages: 2955–2965, Sílvia Osuna, Marcel Swart, Evert Jan Baerends, F. Matthias Bickelhaupt and Miquel Solà

    Version of Record online : 18 SEP 2009, DOI: 10.1002/cphc.200900480

  2. Synthesis and Coordination Chemistry of Chelate Ligands Containing Cyclopentadienyl, Indenyl and Fluorenyl Donors − Diastereoselectivity and NMR Structure Analysis

    European Journal of Inorganic Chemistry

    Volume 2001, Issue 4, April 2001, Pages: 949–971, Joachim Vogelgesang, Axel Frick, Gottfried Huttner and Peter Kircher

    Version of Record online : 27 MAR 2001, DOI: 10.1002/1099-0682(200104)2001:4<949::AID-EJIC949>3.0.CO;2-#

  3. Tuning the Halogen/Hydrogen Bond Competition: A Spectroscopic and Conceptual DFT Study of Some Model Complexes Involving CHF2I

    Chemistry - A European Journal

    Volume 20, Issue 27, July 1, 2014, Pages: 8433–8443, Dr. Nick Nagels, Yannick Geboes, Dr. Balazs Pinter, Prof. Dr. Frank De Proft and Prof. Dr. Wouter A. Herrebout

    Version of Record online : 4 JUN 2014, DOI: 10.1002/chem.201402116

  4. Molar Mass, Radius of Gyration and Second Virial Coefficient from new Static Light Scattering Equations for Dilute Solutions: Application to 21 (Macro)molecules

    ChemPhysChem

    Volume 10, Issue 7, May 11, 2009, Pages: 1097–1105, Bertrand Illien and Ruifeng Ying

    Version of Record online : 23 MAR 2009, DOI: 10.1002/cphc.200800490

  5. Ambit-Tautomer: An Open Source Tool for Tautomer Generation

    Molecular Informatics

    Volume 32, Issue 5-6, June 2013, Pages: 481–504, Nikolay T. Kochev, Vesselina H. Paskaleva and Nina Jeliazkova

    Version of Record online : 3 JUN 2013, DOI: 10.1002/minf.201200133

  6. Cross-Coupling of Heteroarenes by C[BOND]H Functionalization: Recent Progress towards Direct Arylation and Heteroarylation Reactions Involving Heteroarenes Containing One Heteroatom

    Advanced Synthesis & Catalysis

    Volume 356, Issue 1, January 13, 2014, Pages: 17–117, Renzo Rossi, Fabio Bellina, Marco Lessi and Chiara Manzini

    Version of Record online : 15 JAN 2014, DOI: 10.1002/adsc.201300922

  7. Structural Investigations and Thermal Behavior of (EMIm)[Cr(C2O4)2]·2H2O [1-Ethyl-3-methylimidazolium Chromium(III) Dioxalate Dihydrate]

    Zeitschrift für anorganische und allgemeine Chemie

    Volume 637, Issue 10, August 2011, Pages: 1371–1377, Prof. Dr. Volker Kahlenberg, Waltraud Wertl, Daniel M. Többens and Herwig Schottenberger

    Version of Record online : 15 JUN 2011, DOI: 10.1002/zaac.201100109

  8. Molecular Double-Bond Covalent Radii for Elements Li–E112

    Chemistry - A European Journal

    Volume 15, Issue 46, November 23, 2009, Pages: 12770–12779, Pekka Pyykkö and Michiko Atsumi

    Version of Record online : 23 OCT 2009, DOI: 10.1002/chem.200901472

  9. Elucidating the Structure–Property Relationships of Donor–π-Acceptor Dyes for Dye-Sensitized Solar Cells (DSSCs) through Rapid Library Synthesis by a One-Pot Procedure

    Chemistry - A European Journal

    Volume 20, Issue 34, August 18, 2014, Pages: 10685–10694, Dr. Shinichiro Fuse, Dr. Sakae Sugiyama, Dr. Masato M. Maitani, Prof. Dr. Yuji Wada, Dr. Yuhei Ogomi, Prof. Dr. Shuzi Hayase, Prof. Dr. Ryuzi Katoh, Dr. Tatsuo Kaiho and Prof. Dr. Takashi Takahashi

    Version of Record online : 20 JUN 2014, DOI: 10.1002/chem.201402093

  10. Metal Ligand Aromatic Cation−π Interactions

    European Journal of Inorganic Chemistry

    Volume 2003, Issue 12, June 2003, Pages: 2197–2209, Snežana D. Zarić

    Version of Record online : 10 JUN 2003, DOI: 10.1002/ejic.200200278

  11. Microwave Spectroscopic and Atoms in Molecules Theoretical Investigations on the Ar⋅⋅⋅Propargyl Alcohol Complex: Ar⋅⋅⋅H[BOND]O, Ar⋅⋅⋅π, and Ar⋅⋅⋅C Interactions

    ChemPhysChem

    Volume 14, Issue 4, March 18, 2013, Pages: 754–763, Devendra Mani and Prof. Elangannan Arunan

    Version of Record online : 6 JAN 2013, DOI: 10.1002/cphc.201200760

  12. Octahedral Adducts of Dichlorosilane with Substituted Pyridines: Synthesis, Reactivity and a Comparison of Their Structures and 29Si NMR Chemical Shifts

    Chemistry - A European Journal

    Volume 14, Issue 10, March 27, 2008, Pages: 3164–3176, Gerrit W. Fester, Jörg Wagler, Erica Brendler, Uwe Böhme, Gerhard Roewer and Edwin Kroke

    Version of Record online : 12 FEB 2008, DOI: 10.1002/chem.200701412

  13. Atomic Contributions from Spin-Orbit Coupling to 29Si NMR Chemical Shifts in Metallasilatrane Complexes

    Chemistry - A European Journal

    Volume 18, Issue 40, October 1, 2012, Pages: 12803–12813, Prof. Jochen Autschbach, Kiplangat Sutter, Dr. Lionel A. Truflandier, Dr. Erica Brendler and Dr. Jörg Wagler

    Version of Record online : 28 AUG 2012, DOI: 10.1002/chem.201200746

  14. Combination Rules for Group Fusion in Similarity-Based Virtual Screening

    Molecular Informatics

    Volume 29, Issue 6-7, July 12, 2010, Pages: 533–541, Beining Chen, Christoph Mueller  and Peter Willett

    Version of Record online : 14 JUL 2010, DOI: 10.1002/minf.201000050

  15. In Silico Studies of the Relationship Between Chemical Structure and Drug Induced Phospholipidosis

    Molecular Informatics

    Volume 30, Issue 5, May 16, 2011, Pages: 415–429, Katarzyna R. Przybylak and Mark T. D. Cronin

    Version of Record online : 5 MAY 2011, DOI: 10.1002/minf.201000164

  16. Chemistry of Bridging Phosphanes: CuI Dimers Bearing 2,5-Bis(2-pyridyl)phosphole Ligands

    Chemistry - A European Journal

    Volume 14, Issue 11, April 7, 2008, Pages: 3391–3403, Brigitte Nohra, Elena Rodriguez-Sanz, Christophe Lescop and Régis Réau

    Version of Record online : 14 FEB 2008, DOI: 10.1002/chem.200701423

  17. Network Analysis of Publications on Topological Indices from the Web of Science

    Molecular Informatics

    Volume 33, Issue 8, August 2014, Pages: 514–535, Jernej Bodlaj and Vladimir Batagelj

    Version of Record online : 13 JUN 2014, DOI: 10.1002/minf.201400014

  18. The Use of Rule-Based and QSPR Approaches in ADME Profiling: A Case Study on Caco-2 Permeability

    Molecular Informatics

    Volume 32, Issue 5-6, June 2013, Pages: 459–479, Hai Pham-The, Isabel González-Álvarez, Marival Bermejo, Teresa Garrigues, Huong Le-Thi-Thu and Miguel Ángel Cabrera-Pérez

    Version of Record online : 15 MAY 2013, DOI: 10.1002/minf.201200166

  19. Salts of the Cobalt(I) Complexes [Co(CO)5]+ and [Co(CO)2(NO)2]+ and the Lewis Acid–Base Adduct [Co2(CO)7CO[BOND]B(CF3)3]

    Chemistry - A European Journal

    Volume 12, Issue 32, November 6, 2006, Pages: 8276–8283, Eduard Bernhardt, Maik Finze, Helge Willner, Christian W. Lehmann and Friedhelm Aubke

    Version of Record online : 17 AUG 2006, DOI: 10.1002/chem.200600210

  20. Structure and Bonding in First-Row Transition-Metal Dicarbides: Are They Related to the Stability of Met-cars?

    Chemistry - A European Journal

    Volume 12, Issue 26, September 6, 2006, Pages: 6963–6975, Víctor M. Rayón, Pilar Redondo, Carmen Barrientos and Antonio Largo

    Version of Record online : 14 JUN 2006, DOI: 10.1002/chem.200600324