Pure and Applied Chemistry

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• McGlinchey Michael J., Hopf Henning: Organic and Organometallic Derivatives of Propargylallene: Syntheses, Structures, Reactivity and Rearrangements. Eur. J. Org. Chem. 2013, 2013, 4705. <http://dx.doi.org/10.1002/ejoc.201300250>
• Iyoda Masahiko, Yamakawa Jun, Rahman M. Jalilur: Conjugated Macrocycles: Concepts and Applications. Angew Chem Int E 2011, 50, 10522. <http://dx.doi.org/10.1002/anie.201006198>
• Heyndrickx Wouter, Salvador Pedro, Bultinck Patrick, Solà Miquel, Matito Eduard: Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indices. J Comput Chem 2011, 32, 386. <http://dx.doi.org/10.1002/jcc.21621>
• Li Yuanchang, Zhou Gang, Li Jia, Wu Jian, Gu Bing-Lin, Duan Wenhui: Ab initio Study of Half-Metallicity and Magnetism of Complex Organometallic Molecular Wires. J Phys Chem C 2011, 115, 7292. <http://dx.doi.org/10.1021/jp111982q>
• He Shuhua, Tan Ying, Xiao Xiuchan, Zhu Lijuan, Guo Yanzhi, Li Menglong, Tian Anmin, Pu Xuemei, Wong Ning-Bew, Mohajeri Afshan, Shahamirian Mozhgan, Sun Yuting, Wang Meishan, Yang Chuanlu, Guo Yurong: Substituent effects on electronic character of the CN group and trans/cis isomerization in the C-substituted imine derivatives: A computational study. Journal of Molecular Structure: THEOCHEM 2010, 951, 7. <http://dx.doi.org/10.1016/j.theochem.2010.04.010>
• Irshaidat Tareq: A DFT study on the mono lithium and sodium salts of N-(2-hydroxyphenyl)salicylaldimine. Tetrahetron Lett 2009, 50, 825. <http://dx.doi.org/10.1016/j.tetlet.2008.12.017>
• Ciesielski Arkadiusz, Krygowski Tadeusz M., Cyrański Michał K., Dobrowolski Michał A., Aihara Jun-ichi: Graph–topological approach to magnetic properties of benzenoid hydrocarbons. Phys Chem Chem Phys 2009, 11, 11447. <http://dx.doi.org/10.1039/b913895a>
• Vessally E.: Aromatic stability energy studies on five-membered heterocyclic C4H4M (M = O, S, Se, Te, NH, PH, AsH and SbH): DFT calculations. J Struct Chem 2008, 49, 979. <http://dx.doi.org/10.1007/s10947-008-0169-2>
• Palusiak Marcin, Krygowski Tadeusz M.: Application of AIM Parameters at Ring Critical Points for Estimation of π-Electron Delocalization in Six-Membered Aromatic and Quasi-Aromatic Rings. Chem Eur J 2007, 13, 7996. <http://dx.doi.org/10.1002/chem.200700250>
• Kassaee M.Z., Jalalimanesh N., Musavi S.M., Yang Li, Feng Ji-Kang, Ren Ai-Min: Effects of group 14���16 heteroatoms on the aromaticity of benzene at DFT level. Journal of Molecular Structure: THEOCHEM 2007, 816, 153. <http://dx.doi.org/10.1016/j.theochem.2007.04.011>
• Filho O. Treu, Pinheiro J.C., Costa E.B. da, Kondo R.T., Souza R.A. de, Nogueira V.M., Mauro A.E., Xue Zhao-Ming, Cheng Jian-Jun, Chen Chun-Hua, Nori-Shargh Davood, Malekhosseini Maryam, Deyhimi Farzad: Theoretical and experimental study of the infrared spectrum of isonicotinamide. Journal of Molecular Structure: THEOCHEM 2006, 763, 175. <http://dx.doi.org/10.1016/j.theochem.2006.01.026>
• Matito Eduard, Duran Miquel, Solà Miquel: The aromatic fluctuation index (FLU): A new aromaticity index based on electron delocalization. J Chem Phys 2005, 122, 014109. <http://dx.doi.org/10.1063/1.1824895>
• DUCHOWICZ PABLO R., CASTRO EDUARDO A.: QSPR CALCULATION OF AROMATICITY IN SOME FIVE-MEMBERED HETEROAROMATIC COMPOUNDS. J. Theor. Comput. Chem. 2004, 03, 145. <http://dx.doi.org/10.1142/S0219633604000921>
• Cyrański Michał K., Schleyer Paul von Ragué, Krygowski Tadeusz M., Jiao Haijun, Hohlneicher Georg: Facts and artifacts about aromatic stability estimation. Tetrahedron 2003, 59, 1657. <http://dx.doi.org/10.1016/S0040-4020(03)00137-6>
• Cyrański Michał K, Krygowski Tadeusz M, Krutošı́ková Alžbeta, Sleziak Róbert: Aromaticity of dihetero analogues of pentalene dianion. X-Ray and ab initio studies of eight methyl furo[3,2-b]pyrrole-5-carboxylate derivatives and five methyl furo[2,3-b]pyrrole-5-carboxylate derivatives. Tetrahedron 2001, 57, 8867. <http://dx.doi.org/10.1016/S0040-4020(01)00854-7>
• Siemsen Peter, Livingston Robert C., Diederich François: Acetylenkupplungen: eine leistungsfähige Methode für den Aufbau von Molekülen. Angew Chem 2000, 112, 2740. <http://dx.doi.org/10.1002/1521-3757(20000804)112:15<2740::AID-ANGE2740>3.0.CO;2-F>
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• Märkl Gottfried, Knott Th., Kreitmeier Peter, Burgemeister Thomas, Kastner F.: Makrocyclische [4n + 2]-Hückel-Aromaten bisn = 9 und [4n]-Antiaromaten bisn = 10: Homologe Reihen vom Tetraepoxy[24]-annulen(2.0.2.0) zum Tetraepoxy[40]annulen(12.0.12.0) und vom ‘Tetraoxa-[22]porphyrin(2.0.2.0)’-zum ‘Tetraepoxa[38]porphyrin(12.0.12.0)’-Dikation. HCA 1998, 81, 1480. <http://dx.doi.org/10.1002/hlca.19980810553>
• Cyranski Michal K., Krygowski Tadeusz M., Bird Clive W.: Separation of the energetic and geometric contributions to aromaticity. Part VIII. Changes in aromaticity and the evidence for the multi-dimensionality of the aromatic character of benzene rings in para- and meta-cyclophanes. Tetrahedron 1998, 54, 9711. <http://dx.doi.org/10.1016/S0040-4020(98)00527-4>
• Jarmu��a Adam, Anulewicz Romana, Le�� Andrzej, Cyra��ski Micha�� K, Adamowicz Ludwik, Bretner Maria, Felczak Krzysztof, Kulikowski Tadeusz, Krygowski Tadeusz M, Rode Wojciech: Crystal structures of 5-fluoro-dUrd and its 2 and/or 4-thio analogues: models of substituted dUMP pyrimidine ring interacting with thymidylate synthase. Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology 1998, 1382, 277. <http://dx.doi.org/10.1016/S0167-4838(97)00169-6>
• Krygowski Tadeusz M., Cyrański Michal K., Nakata Kazuhide, Fujio Mizue, Tsuno Yuho: Separation of the energetic and geometric contributions to aromaticity. Part VI. Changes of the aromatic character of the rings in naphthalene, anthracene, phenanthrene and pyrene derivatives induced by the charged substituent CH2+. Tetrahedron 1997, 53, 11383. <http://dx.doi.org/10.1016/S0040-4020(97)00720-5>
• BILDE MERETE, HANSEN AAGE E.: Ab initio study of the Pauling-London-Pople (ring current) effect: LORG calculation and analysis of the NMR shielding tensors in a Sondheimer aromatic annulene and a non-aromatic analogue. Mole Phys 1997, 92, 237. <http://dx.doi.org/10.1080/002689797170437>
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