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Ab initio study of the structure and energetic of pyridine dimers


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Bachorz RA, Bischoff FA, Hofener S, Kloper W, Ottiger P, Leist R, Frey JA, Leutwyler S (2008) Phys. Chem. Chem. Phys. 10: 2758.Search in Google Scholar

Berg JM, Tymoczko JL, Stryer L (2010) Biochemistry 7th ed., W. H. Freeman, ISBN: 1429229365.Search in Google Scholar

Besler BH, Merz Jr. KM, Kollman PA (1990) J. Comp. Chem. 11: 431.Search in Google Scholar

Bukowski R, Cencek W, Jankowski P, Jeziorska M, Jeziorski B, Kucharski SA, Lotrich VF, Misquitta AJ, Moszynski R, Patkowski K, Podeszwa R, Rybak S, Szalewicz K, Williams HL, Wheatley RJ, Wormer PES, Zuchowski PS; Part of SAPT suite. Version 2008.2.Search in Google Scholar

Dunning TH, Jr. (1989) J. Chem. Phys. 98: 1007.Search in Google Scholar

Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA, Jr., Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cosi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegava J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox JE, Hratchian HP, Cross JB, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain M-C, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nakaryakkara A, Chalacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzales C, Pople JA (2003) GAUSSIAN 03. Revision A.1. Pittsburg. Pa.Search in Google Scholar

Gung BW, Amicangelo JC (2006) J. Org. Chem. 71: 9261.Search in Google Scholar

Hunter CA, Lawson KR, Perkins J, Urch CJ (2001) J. Chem. Soc. Perkin. Transl. 2: 651.Search in Google Scholar

Krishnan R, Binkley JS, Seeger R, Pople JA (1980) J. Chem. Phys. 72: 650.Search in Google Scholar

Lee EC, Kim D, Jurečka P, Tarakeshwar P, Hobza P, Kim KS (2007) J. Phys. Chem. 111: 3446.Search in Google Scholar

Meyer EA, Castellano RK, Diederich F (2003) Angew. Chem. Int. Ed. 42: 1210.Search in Google Scholar

Møller C, Plesset MS (1934) Phys. Rev. 46: 618.Search in Google Scholar

Pitoňák M, Neogrády P, Řezáč J, Jurečka P, Urban M, Hobza P (2008) J. Chem. Theory. Comput. 4: 1829.Search in Google Scholar

Pitoňák M, Riley KE, Neogrády, Hobza P (2008/a) Chem. Phys. Chem. 9: 1636.10.1002/cphc.20080028618574830Search in Google Scholar

Singh UC, Kollman PA (1984) J. Comp. Chem. 5: 129.Search in Google Scholar

Tsuzuki S, Uchimaru T, Mikami M (2006) J. Phys. Chem. 110: 2027. Sladek V. et al., Ab initio study of the structure and energetic of pyridine dimers 10.1021/jp054461o16451038Search in Google Scholar

Tsuzuki S, Uchimaru T, Matsurama K, Mikami M, Tanabe K (2000) Chem. Phys. Lett. 319: 547.Search in Google Scholar

Woon DE, Dunning TH, Jr. (1993) J. Chem. Phys. 98: 1358.Search in Google Scholar

Xantheas SS (1996) J. Chem. Phys. 104: 8821. Search in Google Scholar

ISSN:
1337-978X
Idioma:
Inglés
Calendario de la edición:
2 veces al año
Temas de la revista:
Chemistry, other