Pure and Applied Chemistry

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• Audran Gérard, Brémond Paul, Marque Sylvain R.A., Siri Didier, Santelli Maurice: Calculated linear free energy relationships in the course of the Suzuki–Miyaura coupling reaction. Tetrahedron 2014. <http://dx.doi.org/10.1016/j.tet.2014.02.011>
• Chen Hang, Jia Lu, Xu Xuan, Mao Jianyong, Wang Yong, Wang Congmin, Li Haoran: Electronic effect of ionic-pair substituents. J. Phys. Org. Chem. 2013, 26, 460. <http://dx.doi.org/10.1002/poc.3108>
• Takahata Yuji: Substituent effect in 1-X-decanes and 3-X-gonanes based on core-electron binding energies calculated with density-functional theory. Computational and Theoretical Chemistry 2013, 1024, 9. <http://dx.doi.org/10.1016/j.comptc.2013.09.017>
• Rebouças Júlio S., James Brian R.: Molecular Recognition Using Ruthenium(II) Porphyrin Thiol Complexes as Probes. Inorg. Chem. 2013, 52, 1084. <http://dx.doi.org/10.1021/ic302401m>
• Cheshmedzhieva Diana, Dimitrova Valia, Hadjieva Boriana, Ilieva Sonia: Rationalizing IR intensities in terms of electronic parameters. J Mole Struct 2012, 1009, 69. <http://dx.doi.org/10.1016/j.molstruc.2011.09.049>
• Nikolova Valia, Cheshmedzhieva Diana, Ilieva Sonia, Galabov Boris: The nature of intramolecular interactions determining the σ− constants for aromatic systems. Journal of Molecular Structure 2012, 1023, 31. <http://dx.doi.org/10.1016/j.molstruc.2012.02.024>
• Szatyłowicz Halina, Krygowski Tadeusz Marek, Jezierska-Mazzarello Aneta: Hydroxyl group as a substituent with varying electronic properties: Effect of strength of H-bonding on charge density changes in Ph–OH…F− complexes. J Mol Model 2011, 17, 125. <http://dx.doi.org/10.1007/s00894-010-0703-y>
• Takahata Yuji: Substituent effects in chain and ring π-systems studied by core-electron binding energies calculated by density functional theory. COMPUT THEOR CHEM 2011, 978, 77. <http://dx.doi.org/10.1016/j.comptc.2011.09.037>
• Fikri Khalid, Debord Jean, Bollinger Jean-Claude, Cledat Dominique, Penicaut Bernard, Robert Jean-Michel H.: RP-HPLC LIPOPHILICITY STUDIES FOR SOME (HETERO)ARYLAMIDES DERIVED FROM 2-AMINO 4,6-DIMETHYL PYRIDINE: INTRODUCTION OF AN HYDROGEN-BOND DESCRIPTOR. J Liquid Chromat 2011, 34, 1356. <http://dx.doi.org/10.1080/10826076.2011.570842>
• Reichardt Christian: Lösungsmittelpolarität-Was ist das?. Nachr Chem Tech Lab 2010, 45, 759. <http://dx.doi.org/10.1002/nadc.19970450710>
• Kopylovich Maximilian N., Mahmudov Kamran T., Guedes da Silva M. Fátima C., Martins Luísa M.D.R.S., Kuznetsov Maxim L., Silva Telma F.S., Fraústo da Silva João J.R., Pombeiro Armando J.L.: Trends in properties of para-substituted 3-(phenylhydrazo)pentane-2,4-diones. J Phys Org Chem 2010, n/a. <http://dx.doi.org/10.1002/poc.1824>
• Alonso Mercedes, Herradón Bernardo: Substituent effects on the aromaticity of carbocyclic five-membered rings. Phys Chem Chem Phys 2010, 12, 1305. <http://dx.doi.org/10.1039/b917343a>
• Sadlej-Sosnowska N., Krygowski T.M.: Substituent effect on geometry of the NO and N(CH3)2 groups in para substituted derivatives of nitrosobenzene and N,N-dimethylaniline. chem phys letts 2009, 476, 191. <http://dx.doi.org/10.1016/j.cplett.2009.06.045>
• Krygowski Tadeusz M., Zachara-Horeglad Joanna E.: Resonance-assisted hydrogen bonding in terms of substituent effect. Tetrahedron 2009, 65, 2010. <http://dx.doi.org/10.1016/j.tet.2009.01.006>
• Takahata Yuji, Marques Alberto Dos Santos, Custodio Rog��rio: Substituent effect in n-hexanes and n-hexatrienes based on core-electron binding energies calculated with density-functional theory. Journal of Molecular Structure: THEOCHEM 2009, 916, 119. <http://dx.doi.org/10.1016/j.theochem.2009.09.015>
• Palusiak Marcin, Krygowski Tadeusz M.: Substituent effects in mono- and disubstituted 1,3,5,7-cyclooctatetraene derivatives in natural and planar conformations. New J Chem 2009, 33, 1753. <http://dx.doi.org/10.1039/b905909a>
• Sayyed Fareed Bhasha, Suresh Cherumuttathu H.: Quantification of substituent effects using molecular electrostatic potentials: additive nature and proximity effects. New J Chem 2009, 33, 2465. <http://dx.doi.org/10.1039/b9nj00333a>
• Mello Rossella, Royo Jorge, Andreu Cecilia, Báguena-Añó Minerva, Asensio Gregorio, González-Núñez María Elena: On the Reactivity of C(sp3)–H σ-Bonds: Oxygenation with Methyl(trifluoromethyl)­dioxirane. Eur J Org Chem 2008, 2008, 455. <http://dx.doi.org/10.1002/ejoc.200700773>
• Takahata Yuji: Inductive and resonance effects based on core-electron binding energy shift. Int J Quantum Chem 2008, 108, 2326. <http://dx.doi.org/10.1002/qua.21605>
• Takahata Yuji, Wulfman Carl E., Chong Delano P., Nemukhin A.V., Topol I.A., Grigorenko B.L., Savitsky A.P., Collins J.R., Mani P., Umamaheswari H., Dominic Joshua B., Sundaraganesan N.: Accurate calculation of N1s and C1s core electron binding energies of substituted pyridines. Correlation with basicity and with Hammett substituent constants. Journal of Molecular Structure: THEOCHEM 2008, 863, 33. <http://dx.doi.org/10.1016/j.theochem.2008.05.009>
• Malhas Rana N., Al-Awadi Nouria A., El-Dusouqui Osman M. E.: Kinetics and mechanism of gas-phase pyrolysis ofN-aryl-3-oxobutanamide ketoanilides, their 2-arylhydrazono derivatives, and related compounds. Int J Chem Kinet 2007, 39, 82. <http://dx.doi.org/10.1002/kin.20220>
• Takahata Yuji, Arakawa Masmoto, Funatsu Kimito, Costa Maria Cristina Andreazza, Segala Maximiliano: Core Electron Binding Energy (CEBE) as Descriptors in Quantitative Structure–Activity Relationship (QSAR) Analysis of Cytotoxicities of a Series of Simple Phenols. QSAR Comb Sci 2007, 26, 378. <http://dx.doi.org/10.1002/qsar.200630007>
• Segala Maximiliano, Takahata Yuji, Chong Delano P., Shamsipur Mojtaba, Alizadeh Kamal, Arshadi Sattar, Yan Shihai, Bu Yuxiang: Geometry, solvent, and polar effects on the relationship between calculated core-electron binding energy shifts (��CEBE) and Hammett substituent (��) constants. Journal of Molecular Structure: THEOCHEM 2006, 758, 61. <http://dx.doi.org/10.1016/j.theochem.2005.10.004>
• Morley John O., Whittaker Stuart D., McDowell Sean A.C., Moraleda Delphine, El Abed Douniazad, Pellissier H��l��ne, Santelli Maurice: Non-linear optical properties of thienylmethylene anilines and benzylidene aminothiophenes. Journal of Molecular Structure: THEOCHEM 2006, 760, 1. <http://dx.doi.org/10.1016/j.theochem.2005.12.001>
• Böhm Stanislav, Paŕík Patrik, Exner Otto: Range of validity of the Hammett equation: acidity of substituted ethynylbenzenes. New J Chem 2006, 30, 384. <http://dx.doi.org/10.1039/b512698c>
• Krygowski Tadeusz Marek, Zachara Joanna Ewa, Szatylowicz Halina: Molecular geometry as a source of chemical information. Part 2—An attempt to estimate the H-bond strength: the case ofp-nitrophenol complexes with bases. J Phys Org Chem 2005, 18, 110. <http://dx.doi.org/10.1002/poc.875>
• Fu Yao, Liu Lei, Liu Rui, Guo Qing-Xiang: Homolytic bond dissociation energies of 4-substituted bicyclo[2.2.2]octanyl compounds: inductive/field effects on the stabilities of organic radicals. J Phys Org Chem 2005, 18, 529. <http://dx.doi.org/10.1002/poc.891>
• Teklu Solomon, Gundersen Lise-Lotte, Rise Frode, Tilset Mats: Electrochemical studies of biologically active indolizines. Tetrahedron 2005, 61, 4643. <http://dx.doi.org/10.1016/j.tet.2005.02.078>
• Pícha Jan, Cibulka Radek, Liška František, Pařík Patrik, Pytela Oldřich: Reparametrization and/or Determination of Hammett, Inductive, Mesomeric and AISE Substituent Constants for Five Substituents: N+(CH3)3, CH2N+(CH3)3, CH2Py+, CH2SO2CH3 and PO(OCH3)2. Collect Czech Chem Commun 2004, 69, 2239. <http://dx.doi.org/10.1135/cccc20042239>
• Shorter John: A history of the international group for correlation analysis in chemistry. J Phys Org Chem 2003, 16, 645. <http://dx.doi.org/10.1002/poc.671>
• Pytela Oldřich, Kulhánek Jiří: Ortho Effect in Dissociation of Benzoic Acids with Electron-Accceptor Substituents Using the AISE Theory; Relation to para Substitution and Solvent. Collect Czech Chem Commun 2002, 67, 596. <http://dx.doi.org/10.1135/cccc20020596>
• Al-Awadi Nouria A., Kumar Ajith, Chuchani Gabriel, Herize Armando: Kinetics and mechanism of thermal gas-phase elimination of 2-aryloxyacetic acid. Int J Chem Kinet 2001, 33, 612. <http://dx.doi.org/10.1002/kin.1058>
• Jenkins Aubrey D., Hatada Koichi, Kitayama Tatsuki, Nishiura Takafumi: Revised patterns of reactivity scheme. VII. Revised patterns scheme and its relationship to carbon-13 NMR spectra. J Polym Sci A Polym Chem 2000, 38, 4336. <http://dx.doi.org/10.1002/1099-0518(20001215)38:24<4336::AID-POLA20>3.0.CO;2-4>
• Jenkins Aubrey D.: Interpretation of reactivity in radical polymerization—Radicals, monomers, and transfer agents: Beyond theQ-e scheme. J Polym Sci A Polym Chem 1999, 37, 113. <http://dx.doi.org/10.1002/(SICI)1099-0518(19990115)37:2<113::AID-POLA1>3.0.CO;2-C>
• Reis João Carlos R., Segurado Manuel A. P., Gomes de Oliveira Jaime D.: Improved Yukawa-Tsuno equation and the substituent effect on pyridine basicity. J Phys Org Chem 1998, 11, 495. <http://dx.doi.org/10.1002/(SICI)1099-1395(199807)11:7<495::AID-POC28>3.0.CO;2-K>
• Al-Awadi Nouria A, Elnagdi Mohamed H, Kaul Kamini, Ilingovan Swaminathan, El-Dusouqui Osman M.E: Kinetics and mechanism of pyrolysis of sulphonyl hydrazones and oximes. Part 1. Contribution to reactivity from hydrazone HNN and oxime ON bond polarity. Tetrahedron 1998, 54, 4633. <http://dx.doi.org/10.1016/S0040-4020(98)00179-3>
• Jiménez Pilar, Roux Maria Victoria, Kulhánek JiŘi, Exner Otto: Enthalpies of formation of methoxybenzoic acids and their dependence on structure. Struct Chem 1996, 7, 375. <http://dx.doi.org/10.1007/BF02275164>