Browse > Article
http://dx.doi.org/10.5012/jkcs.2005.49.3.247

Theoretical Study for the Molecular Structures and Spectroscopic Properties of Various C7H7+ Isomers and Transition States Between Them  

Shin, Chang-Ho (KT&G Central Research Institute)
Kim, Seung-Joon (Department of Chemistry, HanNam University)
Publication Information
Keywords
Tolyl; Benzyl; Tropylium; Ab initio; CCSD Calculation;
Citations & Related Records
Times Cited By KSCI : 2  (Citation Analysis)
연도 인용수 순위
1 Yamaguchi, Y.; Osamura, Y.; Goddard, J. D.; Schaefer, H. F. A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab initio Molecular Electronic structure Theory; Oxford University Press: New York, 1994
2 Brooks, B. R.; Laidig, W. D.; Sate, P.; Goddard, J. D.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1980, 72, 4652   DOI
3 Scheiner, A.C.; Scuseria, G. E.; Rice, J. E.; Lee, T. J.; Schaefer, H. F. J. Chem. Phys. 1987, 87, 5361   DOI
4 Shin, S. K. Chem, Phys. Lett. 1997, 280, 260   DOI   ScienceOn
5 Smith, B. J.; Hall, N. E. Chem. Phys. Lett., 1997, 279, 165   DOI   ScienceOn
6 Jackson, J.-A.; Lias, S. G.; Ausloos, P. J. Am. Chem. Soc. 1977, 99, 7515   DOI
7 Shin, S. K.; Kim, B. J.; Jarek, R. L.; Han, S. J. Bull Korean Chem. Soc. 2002, 23, 267   DOI   ScienceOn
8 Lifshitz, C. Acc. Chem. Soc. 1994, 27, 138   DOI   ScienceOn
9 Olesik, S.; Baer, T.; Morrow, J. C.; Ridal, J. J.; Buschek, J.; Holmes, J. L. Org. Mass Spectrom. 1989, 24, 1008   DOI
10 Grev, R. S.; Janssen, C. L.; Schaefer, H. F. J. Chem. Phys. 1991, 95, 5128   DOI
11 Kim, B. J.; Shin, S. K. J. Chem. Phys. 1997, 106, 1411   DOI   ScienceOn
12 Kim, B. J.; Shin, S. K. J. Phys. Chem. A 2002, 106, 9918   DOI   ScienceOn
13 Cone, C.; Dewar, J. S.; Landman, D. J. Am. Chem. Soc. 1977, 99, 372   DOI
14 Ignatyev, I. S.; Sundius, T. Chem. Phys. Lett. 2000, 326, 101   DOI   ScienceOn
15 McLafferty, F. W.; Bockhoff, F. M. Org. Mass Spectrom. 1979, 14, 181   DOI
16 PSI 2.0.8; C. L. Janssen, E. T. Seidl, G. E. Scuseria, T. P. Hamilton, Y. Yamaguchi, R. B. Remington, Y. Xie, G. Vacek, C. D. Sherrill, T. D. Crawford, J. T. Fermann, W. D. Allen, B. R. Brocks, G. B. Fitzgerald, D. J. Fox, J. F. Gaw, N. C. Handy, W. D. Laidig, T. J. Lee, R. M. Pitzer, J. E. Rice, P. Saxe, A. C. Scheiner, and H. F. Schaefer, PSITECH Inc. Watkinssvills, GA. U.S.A., 1994
17 Huzinaga, S. J. Chem. Phys. 1965, 42, 1293   DOI
18 Dunning, T. H. J. Chem. Phys. 1970, 53, 2823   DOI
19 Saxe, P.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 1982, 77, 5647   DOI
20 Nicolaides, A.; Radom, L. J. Am. Chem. Soc. 1994, 116, 9769   DOI
21 Nicolaides, A.; Radom, L. J. Am. Chem. Soc. 1996, 118, 10561   DOI   ScienceOn
22 Bombach, R.; Dannacher, J.; Stadelmann, J. P. J. Am. Chem. Soc., 1983, 105, 4205   DOI   ScienceOn
23 Lin, C. Y.; Dunbar, R. C. J. Phys. Chem. 1994, 98, 1369   DOI   ScienceOn
24 Cho, Y. S.; Kim, M. S.; Choe, J. C. Int. J. Mass Spectrom. Ion Processes. 1995, 145, 187   DOI   ScienceOn
25 Dunbar, R. C.; Lifshitz, C. J Chem. Phys. 1991, 94, 3542   DOI
26 Shin, C. H.; Park, K. C.; Kim, B. J.; Kim, S. J. Bull. Korean Chem. Soc., 2002, 23, 337   DOI   ScienceOn