메뉴 건너뛰기




Volumn 111, Issue 11, 2011, Pages 7557-7593

Classical valence bond approach by modern methods

Author keywords

[No Author keywords available]

Indexed keywords

QUANTUM CHEMISTRY; WAVE FUNCTIONS;

EID: 84961983834     PISSN: 00092665     EISSN: 15206890     Source Type: Journal    
DOI: 10.1021/cr100228r     Document Type: Review
Times cited : (234)

References (305)
  • 53
    • 33846583367 scopus 로고
    • Maksic, Z. B. Springer: Berlin, Heidelberg
    • Malrieu, J. P. In Models of Theoretical Bonding; Maksic, Z. B., Ed.; Springer: Berlin, Heidelberg, 1990; p 108.
    • (1990) Models of Theoretical Bonding , pp. 108
    • Malrieu, J.P.1
  • 56
    • 0036929311 scopus 로고    scopus 로고
    • Cooper, D. L. Elsevier: Amsterdam
    • Jiang, Y.; Li, S. In Valence Bond Theory; Cooper, D. L., Ed.; Elsevier: Amsterdam, 2002; p 565.
    • (2002) Valence Bond Theory , pp. 565
    • Jiang, Y.1    Li, S.2
  • 112
    • 84962389605 scopus 로고    scopus 로고
    • SciNet Technologies, San Diego, CA
    • Li, J.; Duke, B.; McWeeny, R., SciNet Technologies, San Diego, CA, 2005.
    • (2005)
    • Li, J.1    Duke, B.2    McWeeny, R.3
  • 179
  • 184
  • 187
    • 25144477699 scopus 로고    scopus 로고
    • Kenny, B. Lipkowitz, R. L. Cundari, T. R. Wiley-VCH: New York
    • Shaik, S.; Hiberty, P. C. In Reviews in Computational Chemistry; Kenny, B.; Lipkowitz, R. L.; Cundari, T. R., Eds.; Wiley-VCH: New York, 2004; Vol. 20, p 1.
    • (2004) Reviews in Computational Chemistry , vol.20 , pp. 1
    • Shaik, S.1    Hiberty, P.C.2
  • 194
    • 33947092071 scopus 로고
    • These are vertical valence electron affinities, which are normally negative values; see, e.g. One must be very careful not to simply calculate the R* state as a Rydberg state
    • These are vertical valence electron affinities, which are normally negative values; see, e.g.: Jordan, K. B.; Barrow, P. D. Acc. Chem. Res. 1978, 11, 341-348. One must be very careful not to simply calculate the R* state as a Rydberg state
    • (1978) Acc. Chem. Res. , vol.11 , pp. 341-348
    • Jordan, K.B.1    Barrow, P.D.2
  • 229
    • 70349904482 scopus 로고    scopus 로고
    • John Wiley & Sons: New York
    • Palleros, D. R. Organic Chemistry; John Wiley & Sons: New York, 2000; p 260.
    • (2000) Organic Chemistry , pp. 260
    • Palleros, D.R.1
  • 230
    • 0344472382 scopus 로고    scopus 로고
    • Prentice-Hall: Upper Saddle River, NJ
    • Ouellette, R. J. Organic Chemistry; Prentice-Hall: Upper Saddle River, NJ, 1996; p 326.
    • (1996) Organic Chemistry , pp. 326
    • Ouellette, R.J.1
  • 235
  • 257
    • 0003921987 scopus 로고
    • Viehe, H. G. Janousek, Z. Merényi, R. Springer: Dordrecht, The Netherlands
    • Schleyer, P. v. R. In Substituent Effects in Radical Chemistry; Viehe, H. G.; Janousek, Z.; Merényi, R., Eds.; Springer: Dordrecht, The Netherlands, 1986; p 69.
    • (1986) Substituent Effects in Radical Chemistry , pp. 69
    • Schleyer, V.P.R.1
  • 290
    • 72149116397 scopus 로고
    • Pitman Publishing: London
    • Archbold, J. W. Algebra; Pitman Publishing: London, 1961.
    • (1961) Algebra
    • Archbold, J.W.1
  • 302
    • 84962371582 scopus 로고    scopus 로고
    • GAMESS-UK is a package of ab initio programs written by; with contributions from R. D. Amos; R. J. Buenker; M. Dupuis; N. C. Handy; I. H. Hillier; P. J. Knowles; V. Bonacic-Koutecky; W. von Niessen; V. R. Saunders; A. Stone. The package is derived from the original GAMESS code due to M. Dupuis; D. Spangler; J. Wendoloski: University of California: Berkeley, CA, 1980; Vol. 1, Program No. QG01 (GAMESS). See: Guest, M. F. Bush, I. J. van Dam, H. J. J. Sherwood, P. Thomas, J. M. H. van Lenthe, J. H. Havenith, R. W. A. Kendrick, J. Mol. Phys. For the latest version, see the Web site
    • GAMESS-UK is a package of ab initio programs written by M. F. Guest; J. H. van Lenthe; J. Kendrick; K. Schöffel; P. Sherwood; R. J. Harrison, with contributions from R. D. Amos; R. J. Buenker; M. Dupuis; N. C. Handy; I. H. Hillier; P. J. Knowles; V. Bonacic-Koutecky; W. von Niessen; V. R. Saunders; A. Stone. The package is derived from the original GAMESS code due to M. Dupuis; D. Spangler; J. Wendoloski: NRCC Software Catalog; University of California: Berkeley, CA, 1980; Vol. 1, Program No. QG01 (GAMESS). See: Guest, M. F.; Bush, I. J.; van Dam, H. J. J.; Sherwood, P.; Thomas, J. M. H.; van Lenthe, J. H.; Havenith, R. W. A.; Kendrick, J. Mol. Phys. 2005, 103, 719. For the latest version, see the Web site http://www.cfs.dl.ac.uk/gamess-uk/index.shtml.
    • (2005) NRCC Software Catalog , vol.103 , pp. 719
    • Guest, M.F.1    Van Lenthe, J.H.2    Kendrick, J.3    Schöffel, K.4    Sherwood, P.5    Harrison, R.J.6
  • 303
    • 0038626673 scopus 로고    scopus 로고
    • Frisch, M. J. Trucks, G. W. Schlegel, H. B. Scuseria, G. E. Robb, M. A. Cheeseman, J. R. Montgomery, J. A. Vreven, T. Kudin, K. N. Burant, J. C. Millam, J. M. Iyengar, S. S. Tomasi, J. Barone, V. Mennucci, B. Cossi, M. Scalmani, G. Rega, N. Petersson, G. A. Nakatsuji, H. Hada, M. Ehara, M. Toyota, K. Fukuda, R. Hasegawa, J. Ishida, M. Nakajima, T. Honda, Y. Kitao, O. Nakai, H. Klene, M. Li, X. Knox, J. E. Hratchian, H. P. Cross, J. B. Bakken, V. Adamo, C. Jaramillo, J. Gomperts, R. Stratmann, R. E. Yazyev, O. Austin
    • Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford, CT, 2004.
    • (2004) Gaussian 03
  • 304
    • 3042592093 scopus 로고    scopus 로고
    • Cambridge University Press: Cambridge, U.K
    • Gallup, G. A. Valence Bond Methods; Cambridge University Press: Cambridge, U.K., 2002.
    • (2002) Valence Bond Methods
    • Gallup, G.A.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.