Pure and Applied Chemistry

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• Sen Anik, Ganguly Bishwajit: Probing the role of solvation in predicting the π-facial selectivity of 5-Fluoro-2-methyleneadamantane with per-acid: A case study. Computational and Theoretical Chemistry 2013, 1026, 46. <http://dx.doi.org/10.1016/j.comptc.2013.10.013>
• Cahill Katharine J., Johnson Richard P.: Beyond Frontier Molecular Orbital Theory: A Systematic Electron Transfer Model (ETM) for Polar Bimolecular Organic Reactions. J. Org. Chem. 2013, 78, 1864. <http://dx.doi.org/10.1021/jo301731v>
• Sen Anik, Mehta Goverdhan, Ganguly Bishwajit: A computational approach towards predicting π-facial selectivity in sterically unbiased olefins: an evaluation of the relative importance of electrostatic and orbital effects. Tetrahedron 2011, 67, 3754. <http://dx.doi.org/10.1016/j.tet.2011.02.022>
• Li Haifang, Le Noble William J.: Competing concepts in electronic control of face selection. Recl Trav Chim Pays-Bas 2010, 111, 199. <http://dx.doi.org/10.1002/recl.19921110501>
• Rosenstock Bernd, Gais Hans-Joachim, Herrmann Eva, Raabe G., Binger Paul, Freund Andreas, Wedemann Petra, Krüger Carl, Lindner Jörg: Formal Asymmetric Synthesis of Pentalenolactone E and Pentalenolactone F-1. Retrosynthesis and π-Facial Differentiation in Palladium-Catalyzed and Dipolar [3 + 2]-Cycloaddition Reactions of Bicyclic Alkenes: Evidence for Electrostatic Control of Stereoselectivity. Eur J Org Chem 1998, 1998, 257. <http://dx.doi.org/10.1002/(SICI)1099-0690(199802)1998:2<257::AID-EJOC257>3.0.CO;2-Z>
• Baas Jan M. A., Woudenberg Richard H., Maat Leendert: Chemistry of Opium Alkaloids, XLIII – A PM3 Computational Approach to the Selectivity in the Diels-Alder Reactions of Thebaine and Analogues with Methyl Propenoate. Liebigs Ann /Recueil 1997, 1997, 13. <http://dx.doi.org/10.1002/jlac.199719970105>
• Nyulászi László, Várnai Péter, Eisfeld Wolfgang, Regitz Manfred: Regioselectivity in cycloaddition reaction between phosphaacetylene and diazomethane: Anab initio study. J Comput Chem 1997, 18, 609. <http://dx.doi.org/10.1002/(SICI)1096-987X(19970415)18:5<609::AID-JCC2>3.0.CO;2-R>
• Chapius Christian, Rzepecki Piotr, Bauer Tomasz, Jurczak Janusz: Complete π-Facial Stereoselectivity in the TiCl4-Mediated [4 + 2] Cycloaddition of Cyclopentadiene toN,N′-fumaroyldi[(2R)-bornane-10,2-sultam]. HCA 1995, 78, 145. <http://dx.doi.org/10.1002/hlca.19950780114>
• Várnai Péter, Nyulászi László, Veszpreḿi Tamás, Vékey Károly: Loss of hydrogen fluoride from C2H2F3O+. A theoretical study of a reaction mechanism. chem phys letts 1995, 233, 340. <http://dx.doi.org/10.1016/0009-2614(94)01481-A>
• BelBruno Joseph J., Jursic Branko S., Jursic Branko S.: Molecular orbital calculations of the rotational barrier in benzeneselenenyl molecules. Journal of Molecular Structure: THEOCHEM 1995, 358, 125. <http://dx.doi.org/10.1016/0166-1280(95)04344-6>
• Furet Eric, Savary François, Weber Jacques, Kündig Ernst Peter: Quantum Chemical Investigation of the Structure and Reactivity of Indole Derivatives of Tricarbonylchromium(0). HCA 1994, 77, 2117. <http://dx.doi.org/10.1002/hlca.19940770804>
• Smith Amos B., Iwashima Makoto: Calyculin synthetic studies. 4. remarkable reversal of diastereo-selectivity in payne epoxidation of vinyl spiroketal intermediates. Tetrahetron Lett 1994, 35, 6051. <http://dx.doi.org/10.1016/0040-4039(94)88072-7>
• Bagatti Marisa, Rastelli Augusto, Burdisso Marina, Gandolfi Remo: Diastereofacial selectivity in 1,3-dipolar cycloadditions to cyclobutens. 8. HF/3-21G transition structures of the reactions of formonitrile oxide withCIS-3,4-dichlorocyclobutene and norbornene. J Phys Org Chem 1992, 5, 819. <http://dx.doi.org/10.1002/poc.610051207>
• Stussi Dominique, Weber Jacques, Fluekiger Peter, Morgantini Pierre-Yves, Kündig E. Peter: Development and Applications of an Extended-üuckel-Based Reactivity Index for Organometallic Complexes. Comments Inorg Chem 1992, 14, 27. <http://dx.doi.org/10.1080/02603599208048656>