Pure and Applied Chemistry

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• Türker Lemi: Chromium Tricarbonyl η6 -Complexes of [3]Cyclacene - A DFT Study. Z. anorg. allg. Chem. 2014, n/a. <http://dx.doi.org/10.1002/zaac.201300544>
• Kumar Bharat, Viboh Ruth L., Bonifacio Margel C., Thompson William B., Buttrick Jonathan C., Westlake Babe C., Kim Min-Soo, Zoellner Robert W., Varganov Sergey A., Mörschel Philipp, Teteruk Jaroslav, Schmidt Martin U., King Benjamin T.: Septulene: The Heptagonal Homologue of Kekulene. Angew. Chem. 2012, 124, 12967. <http://dx.doi.org/10.1002/ange.201203266>
• Kumar Bharat, Viboh Ruth L., Bonifacio Margel C., Thompson William B., Buttrick Jonathan C., Westlake Babe C., Kim Min-Soo, Zoellner Robert W., Varganov Sergey A., Mörschel Philipp, Teteruk Jaroslav, Schmidt Martin U., King Benjamin T.: Septulene: The Heptagonal Homologue of Kekulene. Angew. Chem. Int. Ed. 2012, 51, 12795. <http://dx.doi.org/10.1002/anie.201203266>
• Türker Lemi: Borazine-Embedded Coronene—A DFT Study. Polycyclic Arom Comp 2012, 32, 61. <http://dx.doi.org/10.1080/10406638.2011.637103>
• Karimi Sasan, Lewinter Marty: On the Properties of Convex Multilayered Cyclofusene. J Math Chem 2006, 39, 593. <http://dx.doi.org/10.1007/s10910-005-9052-y>
• Türker Lemi, Gümüş Selçuk: AM1, MNDO AND MINDO/3 TREATMENTS OF HÜCKEL TYPE CYCLACENES. Polycyclic Arom Comp 2006, 26, 367. <http://dx.doi.org/10.1080/10407780601028140>
• T��rker Lemi, G��m���� Sel��uk, Metropoulos Aristophanes, Kuznetsov Maxim L.: Cyclacenes having mono boron or nitrogen atom in the backbone���a theoretical study. Journal of Molecular Structure: THEOCHEM 2004, 674, 185. <http://dx.doi.org/10.1016/j.theochem.2003.11.040>
• Jensen James O, T��rker Lemi, G��m���� Sel��uk, Kapoor Pramesh N, Kakkar Rita: Vibrational frequencies and structural determination of N-chlorodifluoromethylenimine. Journal of Molecular Structure: THEOCHEM 2004, 679, 137. <http://dx.doi.org/10.1016/j.theochem.2004.03.023>
• T��rker Lemi, G��m���� Sel��uk, Williams R.W., Fu Hui, Zhou Zhengyu, Zhou Xinming, Cheng Xueli: Cyclacenes. Journal of Molecular Structure: THEOCHEM 2004, 685, 1. <http://dx.doi.org/10.1016/j.theochem.2004.04.021>
• Leyssens T., Peeters D., Anandan K., Kolandaivel P., Kumaresan R., T��rker Lemi, G��m���� Sel��uk: Theoretical study of the influence of phosphorus containing substituents on organic molecules. Journal of Molecular Structure: THEOCHEM 2004, 686, 71. <http://dx.doi.org/10.1016/j.theochem.2004.08.015>
• T��rker Lemi: Cycled-fused-borazines���MNDO and AM1 treatments. Journal of Molecular Structure: THEOCHEM 2003, 640, 63. <http://dx.doi.org/10.1016/j.theochem.2003.08.060>
• T��rker Lemi: Pseudocyclacene electronic circuits���an ab initio treatment. Journal of Molecular Structure: THEOCHEM 2003, 620, 87. <http://dx.doi.org/10.1016/S0166-1280(02)00588-2>
• T��rker Lemi, Gogtas Fahrettin, Bulut Niyazi, Akp��nar Sinan, Santos J.D., Longo E., Taft C.A.: Monosilapseudocyclacenes���ab initio treatment. Journal of Molecular Structure: THEOCHEM 2003, 625, 173. <http://dx.doi.org/10.1016/S0166-1280(03)00016-2>
• Qin Anjun, Bai Fenglian, Ye Cheng, T��rker Lemi, Treu Filho O, Pinheiro J.C, Kondo R.T, Marques R.F.C, Paiva-Santos C.O, Davolos M.R, Jafelicci M: Design of novel X-type second-order nonlinear optical chromophores with low ground state dipole moments and large first hyperpolarizabilities. Journal of Molecular Structure: THEOCHEM 2003, 631, 79. <http://dx.doi.org/10.1016/S0166-1280(03)00206-9>
• T��rker Lemi, Erko�� ��akir: AM1 treatment of substitutionally Al and P doped cyclacenes. Journal of Molecular Structure: THEOCHEM 2003, 636, 143. <http://dx.doi.org/10.1016/S0166-1280(03)00471-8>
• Wu Guisheng, Li Yong-Wang, Xiang Hong-Wei, Xu Yuan-Yuan, Sun Yu-Han, Jiao Haijun, T��rker Lemi, Setiadi David H, Chass Gregory A, Torday Ladislaus L, Varro Andras, Papp Julius Gy: Density functional investigation on copper carbonyl complexes. Journal of Molecular Structure: THEOCHEM 2003, 637, 101. <http://dx.doi.org/10.1016/S0166-1280(03)00473-1>
• T��rker Lemi, Erko�� ��akir, Zheng Kang C., Liu Xue W., Wang Ju P., Yun Feng C., Ji Liang N.: AM1 treatment of substitutionally Al and P doped cyclacenes. Journal of Molecular Structure: THEOCHEM 2003, 637, 189. <http://dx.doi.org/10.1016/S0166-1280(03)00536-0>
• T��rker Lemi, Novosadov Boris K., Wang Feng: Vibrational spectra of cyclacenes���PM3 treatment. Journal of Molecular Structure: THEOCHEM 2003, 664-665, 47. <http://dx.doi.org/10.1016/S0166-1280(03)00569-4>
• T��rker Lemi, Erko�� Sakir: Borazine embedded cyclacenes-MINDO3 treatment. Journal of Molecular Structure: THEOCHEM 2002, 578, 65. <http://dx.doi.org/10.1016/S0166-1280(01)00698-4>
• T��rker Lemi: AM1 treatment of benzocyclacenes. Journal of Molecular Structure: THEOCHEM 2002, 584, 107. <http://dx.doi.org/10.1016/S0166-1280(02)00010-6>
• T��rker Lemi: Borazine embedded corannulenes���AM1 treatment. Journal of Molecular Structure: THEOCHEM 2002, 584, 135. <http://dx.doi.org/10.1016/S0166-1280(02)00012-X>
• Gryff-Keller Adam, Aschi Massimiliano, Mazza Fernando, Di Nola Alfredo, T��rker Lemi: Magnetic shielding tensors of sp-hybridized carbon nuclei in substituted acetylenes. An experimental and GIAO DFT study of the planar substituent effect. Journal of Molecular Structure: THEOCHEM 2002, 587, 171. <http://dx.doi.org/10.1016/S0166-1280(02)00094-5>
• Gong Xue Dong, Xiao He Ming, Gao Pin, Tian He, T��rker Lemi, McQuaid M.J, McNesby K.L, Rice B.M, Chabalowski C.F: A density functional theory study of the structure and properties of the substituted subphthalocyanines. Journal of Molecular Structure: THEOCHEM 2002, 587, 189. <http://dx.doi.org/10.1016/S0166-1280(02)00110-0>
• Hou T.J, Zhu L.L, Li Y.Y, Xu X.J, Binev Y.I, T��rker L, Azizo��lu A: The localization and adsorption of benzene and propylene in ITQ-1 zeolite: grand canonical Monte Carlo simulations. Journal of Molecular Structure: THEOCHEM 2001, 535, 9. <http://dx.doi.org/10.1016/S0166-1280(00)00589-3>
• Muta H, Kojima R, Kawauchi S, Tachibana A, Satoh M, Wong C.H.S., Siu F.M., Ma N.L., Tsang C.W., T��rker L: Ion-specificity for hydrogen-bonding hydration of polymer: an approach by ab initio molecular orbital calculations. Journal of Molecular Structure: THEOCHEM 2001, 536, 219. <http://dx.doi.org/10.1016/S0166-1280(00)00635-7>
• Eskildsen Jørgen, Reenberg Theis, Christensen Jørn Bolstad: Substituted Tetraoxa[8]circulenes - New Members of the Liquid Crystal Family. Eur J Org Chem 2000, 2000, 1637. <http://dx.doi.org/10.1002/(SICI)1099-0690(200004)2000:8<1637::AID-EJOC1637>3.0.CO;2-8>
• T��rker L.: Germaannulenic cyclacenes���AM1 treatment. Journal of Molecular Structure: THEOCHEM 2000, 531, 175. <http://dx.doi.org/10.1016/S0166-1280(00)00462-0>
• Flisz��r S., Vauthier E.C., Coss��-Barbi A., Cavalieri E.L., Hu Ching-Han, T��rker L, Erko�� ��: Approximate but realistic estimates of bond properties in alkylamines. Journal of Molecular Structure: THEOCHEM 2000, 531, 387. <http://dx.doi.org/10.1016/S0166-1280(00)00464-4>
• T��rker L.: The effect of para-cyclophane structure on cyclacenes. Journal of Molecular Structure: THEOCHEM 2000, 497, 11. <http://dx.doi.org/10.1016/S0166-1280(99)00194-3>
• Pan Jun-Wei, Rogers Donald W., McLafferty Frank J., T��rker Lemi, Forni A.: Density functional calculations of enthalpies of hydrogenation, isomerization, and formation of small cyclic hydrocarbons. Journal of Molecular Structure: THEOCHEM 1999, 468, 59. <http://dx.doi.org/10.1016/S0166-1280(98)00505-3>
• Takayanagi T., Kurosaki Y., T��rker L., Sel��uki C., Aviyente V.: Direct ab initio classical trajectory calculations for the N(2D)+CH4 insertion reaction. Journal of Molecular Structure: THEOCHEM 1999, 492, 151. <http://dx.doi.org/10.1016/S0166-1280(99)00157-8>
• T��rker Lemi: MNDO treatment of the H��ckel and M��bius types of cyclacenes. Journal of Molecular Structure: THEOCHEM 1998, 454, 83. <http://dx.doi.org/10.1016/S0166-1280(98)00232-2>
• Türker Lemi: AM1 Treatment of Monosilacyclacenes. Polycyclic Arom Comp 1997, 12, 139. <http://dx.doi.org/10.1080/10406639708233832>
• Türker Lemi: AM1 Treatment of Silacyclacenes. Polycyclic Arom Comp 1997, 12, 213. <http://dx.doi.org/10.1080/10406639708233837>
• Türker Lemi: Unusual Alternation of HMO Bond Orders in Cyclacenes. Polycyclic Arom Comp 1996, 8, 67. <http://dx.doi.org/10.1080/10406639608048335>
• Gutman Ivan, Biedermann P. Ulrich, Ivanov-Petrović Vesna, Agranat Israel: Cyclic Conjugation Effects in Cyclacenes. Polycyclic Arom Comp 1996, 8, 189. <http://dx.doi.org/10.1080/10406639608048345>
• Türker L.: Cryptoannulenic Behavior of Monoazacyclacenes. Polycyclic Arom Comp 1996, 8, 203. <http://dx.doi.org/10.1080/10406639608048346>
• Türker Lemi: On the Cryptoannulenic Behavior of Certain Corannulenes. Polycyclic Arom Comp 1996, 8, 207. <http://dx.doi.org/10.1080/10406639608048347>
• Kouroupis Pavlos, Hansen Hans-Jürgen: From Colchicine and Some of Its Derivatives to 1,2,3,9,10-Pentamethoxybenzo[a]heptalenes. HCA 1995, 78, 1247. <http://dx.doi.org/10.1002/hlca.19950780517>
• Türker Lemi: The Possibility of Superaromatic Cyclacenes. Polycyclic Arom Comp 1995, 4, 231. <http://dx.doi.org/10.1080/10406639508009621>
• Türker Lemi: Cryptoannulenic Behavior of Cyclacenes. Polycyclic Arom Comp 1994, 4, 191. <http://dx.doi.org/10.1080/10406639408014703>
• El-Basil Sherif: Combinatorial properties of some macrocyclic polyhex systems. chem phys letts 1992, 200, 178. <http://dx.doi.org/10.1016/0009-2614(92)87065-W>
• Jinefng Cai, Topsom Ronald D., Brendsdal E., Cyvin S.J., Jankowski K., S��ler F., Landry D.: Effect of hydration on the acidities of substituted acetic acids. Journal of Molecular Structure: THEOCHEM 1989, 188, 45. <http://dx.doi.org/10.1016/0166-1280(89)85025-0>
• Maier Günther: Tetrahedran und Cyclobutadien. Angew Chem 1988, 100, 317. <http://dx.doi.org/10.1002/ange.19881000304>
• Maier Günther: Tetrahedrane and Cyclobutadiene. Angew Chem Int Ed Engl 1988, 27, 309. <http://dx.doi.org/10.1002/anie.198803093>
• Cyvin S.J.: The number of Kekulé structures for primitive coronoids (cycloarenes). chem phys letts 1988, 147, 384. <http://dx.doi.org/10.1016/0009-2614(88)80253-7>
• Bernardi Fernando, Bottoni Andrea, Venturini Alessandro: An ab initio SCF-MO study of the aromaticity of some cyclic compounds. Journal of Molecular Structure: THEOCHEM 1988, 163, 173. <http://dx.doi.org/10.1016/0166-1280(88)80389-0>
• Cyvin S.J., Brunvoll J., Cyvin B.N., Brendsdal E., Brendsdal E., Cyvin B.N., Brunvoll J., Cyvin S.J., Searles Debra J., Dunne Simon J., von Nagy-Felsobuki Ellak I.: Condensed aromatics���XXIII. Cyclo[d.e.d.e.d.e.d.e.d.e.d.e]dodecakisbenzene (kekulene). Spectrochimica Acta Part A: Molecular Spectroscopy 1988, 44, 975. <http://dx.doi.org/10.1016/0584-8539(88)80215-0>
• Diercks Rainer, Armstrong James C., Boese Roland, Vollhardt C.: Hexaethinylbenzol. Angew Chem 1986, 98, 270. <http://dx.doi.org/10.1002/ange.19860980319>
• Diercks Rainer, Armstrong James C., Boese Roland, Vollhardt K. Peter C.: Hexaethynylbenzene. Angew Chem Int Ed Engl 1986, 25, 268. <http://dx.doi.org/10.1002/anie.198602681>
• Bergan John L., Cyvin Sven J., Cyvin Bjorg N.: Number of kekulé structures of single-chain corona-condensed benzenoids (cycloarenes). chem phys letts 1986, 125, 218. <http://dx.doi.org/10.1016/0009-2614(86)87052-X>
• Bernhard Werner, Brügger Paul, Daly John J., Englert Gerhard, Schönholzer Peter, Hansen Hans-Jürgen: σ-Skeletal-Rearrangement of Heptalenes: Thermal Transformation of Heptalene-1,2-dicarboxylates into Heptalene-1,3-dicarboxylates. HCA 1985, 68, 1010. <http://dx.doi.org/10.1002/hlca.19850680427>
• Hellwinkel Dieter, Kosack Thomas: Zur sukzessiven Umhüllung des Benzolkerns mit gesättigten Ringen. Liebigs Ann Chem 1985, 1985, 226. <http://dx.doi.org/10.1002/jlac.198519850203>
• Scherz A., Levanon H.: Optical transition energies of porphyrins : The application of free electron molecular orbital approach. Mole Phys 1985, 55, 923. <http://dx.doi.org/10.1080/00268978500101791>