1. bookVolumen 11 (2018): Edición 1 (April 2018)
Detalles de la revista
License
Formato
Revista
eISSN
1339-3065
Primera edición
10 Dec 2012
Calendario de la edición
2 veces al año
Idiomas
Inglés
Acceso abierto

Local aromaticity of linear cata-benzocoronenes and acenes: density functional study

Publicado en línea: 06 Jul 2018
Volumen & Edición: Volumen 11 (2018) - Edición 1 (April 2018)
Páginas: 31 - 42
Detalles de la revista
License
Formato
Revista
eISSN
1339-3065
Primera edición
10 Dec 2012
Calendario de la edición
2 veces al año
Idiomas
Inglés

Aihara J (2003) Chem. Phys. Lett. 381 (1-2): 147-153, doi: 10.1016/j.cplett.Search in Google Scholar

Anusooya Y, Chakrabarti A, Pati SK, Ramasesha S (1998) Int. J. Quantum Chem. 70: 503.10.1002/(SICI)1097-461X(1998)70:3<503::AID-QUA6>3.0.CO;2-YSearch in Google Scholar

Bayrakceken F, Keskin AU (2004) Asian J Spectrosc. 8(1): 9-14.Search in Google Scholar

Becke AD (1988) Phys Rev A 38: 3098-3100.10.1103/PhysRevA.38.3098Search in Google Scholar

Behrens S, Koster AM, Jug K (1994) J. Org. Chem. 59: 2546.Search in Google Scholar

Brock CP, Dunitz JD (1990) Acta Crystallographica Section B46: 795-806.10.1107/S0108768190008382Search in Google Scholar

Clar E (1939) Chem. Ber. 72: 1817.Search in Google Scholar

Clar E. (1949) Chem. Ber. 82: 495.Search in Google Scholar

Cyrański MK, Krygowski TM, Katritzky AR, Schleyer PVR (2002) J. Org. Chem. 67: 1333-1338. doi: 10.1021/jo016255s.Search in Google Scholar

Cyranski MK, Stepień BT, Krygowski TM (2000) Tetrahedron 56: 9663.10.1016/S0040-4020(00)00919-4Search in Google Scholar

Dabestani R, Ivanov IN (1999) Photochem. Photobiol. 70: 10.Search in Google Scholar

Fetzer JC (2000) The Chemistry and Analysis of the Large Polycyclic Aromatic Hydrocarbons. New York: Wiley.Search in Google Scholar

Fink R, Staemmler V (1993) Theor. Chim. Acta 87: 129.Search in Google Scholar

Flukiger P, Luthi HP, Sortmann S, Weber J (2002) Molekel 4.3, Swiss National Supercomputing Centre, Manno, Switzerland.Search in Google Scholar

Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Scalmani G, Barone V, Mennucci B, Petersson GA, Nakatsuji H, Caricato M, Li X, Hratchian HP, Izmaylov AF, Bloino J, Zheng G, Sonnenberg JL, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Vreven T, Montgomery JA Jr., Peralta JE, Ogliaro F, Bearpark M, Heyd JJ, Brothers E, Kudin KN, Staroverov VN, Keith T, Kobayashi R, Normand J, Raghavachari K, Rendell A, Burant JC, Iyengar SS, Tomasi J, Cossi M, Rega N, Millam JM, Klene M, Knox JE, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Martin RL, Morokuma K, Zakrzewski VG, Voth GA, Salvador P, Dannenberg JJ, Dapprich S, Daniels AD, Farkas O, Foresman JB, Ortiz JV, Cioslowski J and Fox DJ (2009) Gaussian 09, Revision D.01, Gaussian, Inc. Wallingford CT.Search in Google Scholar

Frizzo CP, Martins MA (2012) Struct. Chem. 23(2): 375-380.Search in Google Scholar

Furche F, Ahlrichs R (2002) J. Chem. Phys. 117: 7433-7447. doi: 10.1063/1.1508368.Search in Google Scholar

Hariharan PC, Pople JA (1973) Theor. Chim. Acta. 28:213-222. doi: 10.1007/BF00533485.Search in Google Scholar

Haynes WM (2011) In: CRC Handbook of Chemistry and Physics (92nd ed.). Boca Raton, FL: CRC Press. p. 3.128. ISBN 978-1-4398-5511-9.Search in Google Scholar

Hohenberg W, Kohn P, Hohenberg P, Kohn W (1964) Phys. Rev. 136: B864-B871. doi: 10.1103/PhysRev.136.B864.Search in Google Scholar

Howard ST, Krygowski TM (1997) Can. J. Chem. 75: 1174.Search in Google Scholar

Jinno K, Miya S, Sasaki S-I, Fetzer JC, Biggs WR (1990) Fourth Symposium on our Environment Proceedings of the Fourth Symposium on Our Environment, held in Singapore.Search in Google Scholar

Krygowski TM, Cyrański MK (2001) Chem. Rev. 101: 1385.Search in Google Scholar

Lee C, Yang W, Parr RG (1988) Phys. Rev. B 37: 785- 789.Search in Google Scholar

Lempka HJ, Obenland S, Schmidt W (1985) Chem. Phys. 96(2): 349-360.Search in Google Scholar

Ligabue A, Pincelli U, Lazzeretti P, Zanasi P (1999) J. Am. Chem. Soc. 121: 5513.Search in Google Scholar

Mackay D, Callcott D (1998) A. Neilson (ed.). PAHs and Related Compounds. The Handbook of Environmental Chemistry. (pp. 325-345). Springer, Berlin Heidelberg. ISBN 978-3-642-08286-3.Search in Google Scholar

Moyano A, Paniagua JC (1993) Trends Org. Chem. 4: 697.Search in Google Scholar

Nijegorodov N, Mabbs R, Downey WS (2001) Spectrochimica Acta Part A 57: 2673-2685.10.1016/S1386-1425(01)00457-7Search in Google Scholar

Nijegorodov N, Ramachandran V, Winkoun DP (1997) Spectrochim. Acta A 53: 1813.10.1016/S1386-1425(97)00071-1Search in Google Scholar

Ośmiałowski B, Raczyńska ED, Krygowski TM (2006) J. Org. Chem. 71: 3727-3736. doi: 10.1021/jo052615q.Search in Google Scholar

Platt JRJ (1949) Chem. Phys. 17: 484.Search in Google Scholar

Portella G, Poater J, Bofill JM, Alemany P, Sola M (2005) J. Org. Chem. 70: 2509-2521.Search in Google Scholar

Potticary J, Jensen TT, Hall SR (2017) Sci. Rep. 7(1): 9867.Search in Google Scholar

Potticary J, Terry LR, Bell C, Papanikolopoulos AN, Christianen PCM, Engelkamp H, Collins AM, Fontanesi C, Kociok-Kohn G, Crampin S, Da Como E, Hall SR (2016) Nat. Comm. 7: 11555.Search in Google Scholar

Randic M (2003) Chem. Rev. 103: 3449.Search in Google Scholar

Rassolov VA, Pople JA, Ratner MA, Windus TL (1998) J. Chem. Phys. 109: 1223-1229. doi: 10.1063/1.476673.Search in Google Scholar

Ruiterkamp R, Halasinki T, Salama F, Foing BH, Allamandola LJ, chmidt W, Ehrenfreund P (2002) A&A 390: 1153-1170.10.1051/0004-6361:20020478Search in Google Scholar

Runge E (1984) Phys. Rev. Lett. 52: 997-1000. doi: 10.1103/PhysRevLett.52.997 Schleyer PvR, Manoharan M, Jiao HJ, Stahl F (2001) Org. Lett. 3: 3643.Search in Google Scholar

Steiner E, Fowler PW (1996) Int. J. Quantum Chem. 60: 609.10.1002/(SICI)1097-461X(1996)60:1<609::AID-QUA58>3.0.CO;2-1Search in Google Scholar

Tonshoff C, Bettinger HF (2010) Angew. Chem. 49: 4125.Search in Google Scholar

Yanai T, Tew D, Handy N (2004) Chem. Phys. Lett. 393: 51-57. doi: 10.1016/j.cplett.2004.06.011.Search in Google Scholar

Zhao Y, Truhlar DG (2008) Theor. Chem. Acc. 120: 215-241. doi: 10.1007/s00214-007-0401-8.Search in Google Scholar

Artículos recomendados de Trend MD

Planifique su conferencia remota con Sciendo