Zacytuj

Cornil J, Beljonne D, Brédas JL (1998) Electronic Materials: The Oligomer Approach. Müllen and Wegner, Weinheim, New York (1998).Search in Google Scholar

Rubio M, Ortí E, Pou-Amérigo R, Merchán M (2001) J. Phys. Chem. A. 105: 9788-9794.Search in Google Scholar

Parr RG, Yang W, Springer-Verlag. 1991.Search in Google Scholar

Head-Gordon MJ, Pople A, Frisch MJ (1988) Chem. Phys. Lett. 153: 503.Search in Google Scholar

Dewar MJS, Zoebitsch EG, Healy EF, Stewart JJP (1985) J. Am. Chem. Soc. 107: 3902.Search in Google Scholar

Furche F, Ahlrichs R. (2002) J. Chem. Phys. 117: 7433.Search in Google Scholar

Stratmann RE, Scuseria GE, Frisch MJ (1998) J. Chem. Phys. 109: 8218.Search in Google Scholar

Becke AD (1996) J. Chem. Phys. 104: 1040.Search in Google Scholar

Perdew JP, Burke K, Ernzerhof M (1996) Phys. Rev. Lett. 77: 3865.10.1103/PhysRevLett.77.3865Search in Google Scholar

Barbatti M, Granucci G, Persico M, Ruckenbauer M, Lischka H, Newton-X: a package for Newtonian dynamics close to the crossing seam, version 0.13b www.univie.ac.at/newtonxSearch in Google Scholar

Gill PMW, Johnson BG, Pople JA, Frisch MJ (1992) Chem. Phys. Lett. 197: 499.Search in Google Scholar

Stewart JJP (1993) MOPAC 93.00 Manual Fujitsu Limited, Tokyo.Search in Google Scholar

Aradi B, Hourahine B, Frauenheim T (2007) J. Phys. Chem. A, 111: 5678.Search in Google Scholar

Baker J (1985) J. Comp. Chem. 7:385.Search in Google Scholar

Frisch MJ, Trucks GW, Schlegel HB et al (2003) GAUSSIAN 03, Revision A.1, Gaussian, Inc., Pittsburgh, PA.Search in Google Scholar

Jacquemin D, Perpete EA, Chermette H, Ciofini I, Adamo C (2007) Chem. Phys. 332: 79.Search in Google Scholar

Jensen F (2007) Introduction to Computational Chemistry, Second edition, J. Wiley & Sons Ltd., West Sussex (England).Search in Google Scholar

Kosak AI, Palchak RJF, Steele WA, Selwitz ChM (1954) J. Am. Chem. Soc. 76: 4450.Search in Google Scholar

Strashnikova NV, Sigalov MV, Korostova SE, Mikhaleva AE, Trofimov BA (1993) Russ. Chem. Bull. 42: 1013.Search in Google Scholar

Turchaninov VK, Vokin AI, Korostova SE (1997) Russ. Chem. Bull. 46: 1407.Search in Google Scholar

Murzina NM, Naimushina MI, Vokin AI, Tarasova OA, Mikhaleva AI, Turchaninov VK, Trofimov BA (2002) Russ. J. Gen. Chem. 72: 116.Search in Google Scholar

Tomasi J, Mennucci B, Cancès E (1999) J. Mol. Struct. (Theochem) 464: 211.10.1016/S0166-1280(98)00553-3Search in Google Scholar

Neese F, Becker U, Ganyushin D et al (2010) ORCA Version 2.8, An ab initio, DFT and semiempirical SCF-MO package, Bonn, Germany.Search in Google Scholar

ISSN:
1337-978X
Język:
Angielski
Częstotliwość wydawania:
2 razy w roku
Dziedziny czasopisma:
Chemistry, other