메뉴 건너뛰기




Volumn 407, Issue 2-3, 1997, Pages 177-198

Adiabatic semiempirical parametric method for computing electronic-vibrational spectra of complex molecules. Part 1. Polyenes and diphenylpolyenes

Author keywords

Diphenylpolyene; Excited state property; Polyene; Vibronic spectra calculation

Indexed keywords


EID: 0030917314     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(96)09611-1     Document Type: Article
Times cited : (34)

References (67)
  • 1
    • 0343276337 scopus 로고
    • V.I. Baranov and L.A. Gribov, J. Mol. Struct., 104 (1983) 267. L.A. Gribov, V.I. Baranov and Yu.V. Nefedov, J. Mol. Struct., 148 (1986) 1.
    • (1983) J. Mol. Struct. , vol.104 , pp. 267
    • Baranov, V.I.1    Gribov, L.A.2
  • 3
    • 0343711832 scopus 로고
    • V.I. Baranov and L.A. Gribov, J. Mol. Struct., 224 (1990) 45. V.I. Baranov and L.A. Gribov, Opt. Spektrosk., 67 (1989) 32 (in Russian).
    • (1990) J. Mol. Struct. , vol.224 , pp. 45
    • Baranov, V.I.1    Gribov, L.A.2
  • 4
    • 0343711851 scopus 로고
    • in Russian
    • V.I. Baranov and L.A. Gribov, J. Mol. Struct., 224 (1990) 45. V.I. Baranov and L.A. Gribov, Opt. Spektrosk., 67 (1989) 32 (in Russian).
    • (1989) Opt. Spektrosk. , vol.67 , pp. 32
    • Baranov, V.I.1    Gribov, L.A.2
  • 7
    • 0006779374 scopus 로고
    • V.I. Baranov and D.Yu. Zelent'sov, J. Mol. Struct., 328 (1994) 179, 199. V.I. Baranov, L.A. Gribov and D.Yu. Zelent'sov, J. Mol. Struct., 328 (1994) 189; 376 (1996) 475.
    • (1994) J. Mol. Struct. , vol.328 , pp. 179
    • Baranov, V.I.1    Zelent'sov, D.Yu.2
  • 9
    • 0346733166 scopus 로고    scopus 로고
    • V.I. Baranov and D.Yu. Zelent'sov, J. Mol. Struct., 328 (1994) 179, 199. V.I. Baranov, L.A. Gribov and D.Yu. Zelent'sov, J. Mol. Struct., 328 (1994) 189; 376 (1996) 475.
    • (1996) J. Mol. Struct. , vol.376 , pp. 475
  • 11
    • 11344256275 scopus 로고
    • P. Pulay, Mol. Phys., 18 (1970) 473. P. Pulay and F. Török, Mol. Phys., 25 (1973) 1153. G. Fogarasi and P. Pulay, Annu. Rev. Phys. Chem., 35 (1984) 191. G.J. Sexton and N.C. Handy, Mol. Phys., 51 (1984) 1321. G. Fogarasi and P. Pulay, J. Mol. Struct., 141 (1986) 145.
    • (1970) Mol. Phys. , vol.18 , pp. 473
    • Pulay, P.1
  • 12
    • 0343711848 scopus 로고
    • P. Pulay, Mol. Phys., 18 (1970) 473. P. Pulay and F. Török, Mol. Phys., 25 (1973) 1153. G. Fogarasi and P. Pulay, Annu. Rev. Phys. Chem., 35 (1984) 191. G.J. Sexton and N.C. Handy, Mol. Phys., 51 (1984) 1321. G. Fogarasi and P. Pulay, J. Mol. Struct., 141 (1986) 145.
    • (1973) Mol. Phys. , vol.25 , pp. 1153
    • Pulay, P.1    Török, F.2
  • 13
    • 11344256275 scopus 로고
    • P. Pulay, Mol. Phys., 18 (1970) 473. P. Pulay and F. Török, Mol. Phys., 25 (1973) 1153. G. Fogarasi and P. Pulay, Annu. Rev. Phys. Chem., 35 (1984) 191. G.J. Sexton and N.C. Handy, Mol. Phys., 51 (1984) 1321. G. Fogarasi and P. Pulay, J. Mol. Struct., 141 (1986) 145.
    • (1984) Annu. Rev. Phys. Chem. , vol.35 , pp. 191
    • Fogarasi, G.1    Pulay, P.2
  • 14
    • 0042656314 scopus 로고
    • P. Pulay, Mol. Phys., 18 (1970) 473. P. Pulay and F. Török, Mol. Phys., 25 (1973) 1153. G. Fogarasi and P. Pulay, Annu. Rev. Phys. Chem., 35 (1984) 191. G.J. Sexton and N.C. Handy, Mol. Phys., 51 (1984) 1321. G. Fogarasi and P. Pulay, J. Mol. Struct., 141 (1986) 145.
    • (1984) Mol. Phys. , vol.51 , pp. 1321
    • Sexton, G.J.1    Handy, N.C.2
  • 15
    • 0041139000 scopus 로고
    • P. Pulay, Mol. Phys., 18 (1970) 473. P. Pulay and F. Török, Mol. Phys., 25 (1973) 1153. G. Fogarasi and P. Pulay, Annu. Rev. Phys. Chem., 35 (1984) 191. G.J. Sexton and N.C. Handy, Mol. Phys., 51 (1984) 1321. G. Fogarasi and P. Pulay, J. Mol. Struct., 141 (1986) 145.
    • (1986) J. Mol. Struct. , vol.141 , pp. 145
    • Fogarasi, G.1    Pulay, P.2
  • 16
    • 17044377101 scopus 로고
    • A. Warshel and M. Karplus, J. Am. Chem. Soc., 94 (1972) 5612. A. Warshel, Mod. Theor. Chem., 7 (1977) 132. F. Zerbetto, J. Phys. Chem., 98 (1994) 13 157.
    • (1972) J. Am. Chem. Soc. , vol.94 , pp. 5612
    • Warshel, A.1    Karplus, M.2
  • 17
    • 17044377101 scopus 로고
    • A. Warshel and M. Karplus, J. Am. Chem. Soc., 94 (1972) 5612. A. Warshel, Mod. Theor. Chem., 7 (1977) 132. F. Zerbetto, J. Phys. Chem., 98 (1994) 13 157.
    • (1977) Mod. Theor. Chem. , vol.7 , pp. 132
    • Warshel, A.1
  • 18
    • 0000740990 scopus 로고
    • A. Warshel and M. Karplus, J. Am. Chem. Soc., 94 (1972) 5612. A. Warshel, Mod. Theor. Chem., 7 (1977) 132. F. Zerbetto, J. Phys. Chem., 98 (1994) 13 157.
    • (1994) J. Phys. Chem. , vol.98 , pp. 13157
    • Zerbetto, F.1
  • 19
    • 0000791958 scopus 로고
    • in Russian
    • Yu.E. Perlin, Usp. Fiz. Nauk., 80 (1963) 553 (in Russian). M.V. Priyutov, Yu.V. Kamensky, I.F. Kovalev and M.G. Voronkov, Dokl. Akad. Nauk. SSSR, 232 (1977) 332 (in Russian). M.V. Priyutov, M.A. Kovner, I.E. Krainova and P.V. Kosterin. Zh. Struct. Khim., 24 (1983) 3 (in Russian). M.V. Priyutov, Yu.V. Kamensky and I.F. Kovalev, Opt. Spektrosk., 57 (1984) 588 (in Russian).
    • (1963) Usp. Fiz. Nauk. , vol.80 , pp. 553
    • Perlin, Yu.E.1
  • 20
    • 0141837634 scopus 로고
    • in Russian
    • Yu.E. Perlin, Usp. Fiz. Nauk., 80 (1963) 553 (in Russian). M.V. Priyutov, Yu.V. Kamensky, I.F. Kovalev and M.G. Voronkov, Dokl. Akad. Nauk. SSSR, 232 (1977) 332 (in Russian). M.V. Priyutov, M.A. Kovner, I.E. Krainova and P.V. Kosterin. Zh. Struct. Khim., 24 (1983) 3 (in Russian). M.V. Priyutov, Yu.V. Kamensky and I.F. Kovalev, Opt. Spektrosk., 57 (1984) 588 (in Russian).
    • (1977) Dokl. Akad. Nauk. SSSR , vol.232 , pp. 332
    • Priyutov, M.V.1    Kamensky, Yu.V.2    Kovalev, I.F.3    Voronkov, M.G.4
  • 21
    • 0342841535 scopus 로고
    • in Russian
    • Yu.E. Perlin, Usp. Fiz. Nauk., 80 (1963) 553 (in Russian). M.V. Priyutov, Yu.V. Kamensky, I.F. Kovalev and M.G. Voronkov, Dokl. Akad. Nauk. SSSR, 232 (1977) 332 (in Russian). M.V. Priyutov, M.A. Kovner, I.E. Krainova and P.V. Kosterin. Zh. Struct. Khim., 24 (1983) 3 (in Russian). M.V. Priyutov, Yu.V. Kamensky and I.F. Kovalev, Opt. Spektrosk., 57 (1984) 588 (in Russian).
    • (1983) Zh. Struct. Khim. , vol.24 , pp. 3
    • Priyutov, M.V.1    Kovner, M.A.2    Krainova, I.E.3    Kosterin, P.V.4
  • 22
    • 0343276333 scopus 로고
    • in Russian
    • Yu.E. Perlin, Usp. Fiz. Nauk., 80 (1963) 553 (in Russian). M.V. Priyutov, Yu.V. Kamensky, I.F. Kovalev and M.G. Voronkov, Dokl. Akad. Nauk. SSSR, 232 (1977) 332 (in Russian). M.V. Priyutov, M.A. Kovner, I.E. Krainova and P.V. Kosterin. Zh. Struct. Khim., 24 (1983) 3 (in Russian). M.V. Priyutov, Yu.V. Kamensky and I.F. Kovalev, Opt. Spektrosk., 57 (1984) 588 (in Russian).
    • (1984) Opt. Spektrosk. , vol.57 , pp. 588
    • Priyutov, M.V.1    Kamensky, Yu.V.2    Kovalev, I.F.3
  • 23
    • 0003456927 scopus 로고
    • Benjamin, New York
    • L. Salem, Molecular Orbital Theory of Conjugated Systems, Benjamin, New York, 1966. A. Julg, J. Chem. Phys., 65 (1968) 541. E.M. Popov, G.A. Kogan and V.M. Zheltova, Teor. Exp. Khim., 6 (1970) 14 (in Russian). V.I. Baranov and L.A. Gribov. Opt. Spektrosk., 47 (1979) 91 (in Russian). V.I. Baranov and L.A. Gribov, J. Mol. Struct., 70 (1981) 31.
    • (1966) Molecular Orbital Theory of Conjugated Systems
    • Salem, L.1
  • 24
    • 0342841534 scopus 로고
    • L. Salem, Molecular Orbital Theory of Conjugated Systems, Benjamin, New York, 1966. A. Julg, J. Chem. Phys., 65 (1968) 541. E.M. Popov, G.A. Kogan and V.M. Zheltova, Teor. Exp. Khim., 6 (1970) 14 (in Russian). V.I. Baranov and L.A. Gribov. Opt. Spektrosk., 47 (1979) 91 (in Russian). V.I. Baranov and L.A. Gribov, J. Mol. Struct., 70 (1981) 31.
    • (1968) J. Chem. Phys. , vol.65 , pp. 541
    • Julg, A.1
  • 25
    • 0343276328 scopus 로고
    • in Russian
    • L. Salem, Molecular Orbital Theory of Conjugated Systems, Benjamin, New York, 1966. A. Julg, J. Chem. Phys., 65 (1968) 541. E.M. Popov, G.A. Kogan and V.M. Zheltova, Teor. Exp. Khim., 6 (1970) 14 (in Russian). V.I. Baranov and L.A. Gribov. Opt. Spektrosk., 47 (1979) 91 (in Russian). V.I. Baranov and L.A. Gribov, J. Mol. Struct., 70 (1981) 31.
    • (1970) Teor. Exp. Khim. , vol.6 , pp. 14
    • Popov, E.M.1    Kogan, G.A.2    Zheltova, V.M.3
  • 26
    • 0006863087 scopus 로고
    • in Russian
    • L. Salem, Molecular Orbital Theory of Conjugated Systems, Benjamin, New York, 1966. A. Julg, J. Chem. Phys., 65 (1968) 541. E.M. Popov, G.A. Kogan and V.M. Zheltova, Teor. Exp. Khim., 6 (1970) 14 (in Russian). V.I. Baranov and L.A. Gribov. Opt. Spektrosk., 47 (1979) 91 (in Russian). V.I. Baranov and L.A. Gribov, J. Mol. Struct., 70 (1981) 31.
    • (1979) Opt. Spektrosk. , vol.47 , pp. 91
    • Baranov, V.I.1    Gribov, L.A.2
  • 27
    • 0342406595 scopus 로고
    • L. Salem, Molecular Orbital Theory of Conjugated Systems, Benjamin, New York, 1966. A. Julg, J. Chem. Phys., 65 (1968) 541. E.M. Popov, G.A. Kogan and V.M. Zheltova, Teor. Exp. Khim., 6 (1970) 14 (in Russian). V.I. Baranov and L.A. Gribov. Opt. Spektrosk., 47 (1979) 91 (in Russian). V.I. Baranov and L.A. Gribov, J. Mol. Struct., 70 (1981) 31.
    • (1981) J. Mol. Struct. , vol.70 , pp. 31
    • Baranov, V.I.1    Gribov, L.A.2
  • 28
    • 0141466232 scopus 로고
    • in Russian
    • V.I. Baranov and B.K. Novosadov, Zh. Prikl. Spektrosk., 42 (1985) 430 (in Russian). V.I. Baranov, G.N. Ten and L.A. Gribov, J. Mol. Struct., 137 (1986) 91.
    • (1985) Zh. Prikl. Spektrosk. , vol.42 , pp. 430
    • Baranov, V.I.1    Novosadov, B.K.2
  • 30
    • 0141565654 scopus 로고
    • V.I. Baranov and A.N. Solovyev, Zh. Prikl. Spektrosk., 40 (1984) 780; 46 (1987) 69 (in Russian). V.I. Baranov and A.N. Solovyev, Zh. Fiz. Khim., 59 (1985) 1720 (in Russian). V.I. Baranov and A.N. Solovyev. Opt. Spektrosk., 62 (1987) 346 (in Russian).
    • (1984) Zh. Prikl. Spektrosk. , vol.40 , pp. 780
    • Baranov, V.I.1    Solovyev, A.N.2
  • 31
    • 0343711844 scopus 로고
    • in Russian
    • V.I. Baranov and A.N. Solovyev, Zh. Prikl. Spektrosk., 40 (1984) 780; 46 (1987) 69 (in Russian). V.I. Baranov and A.N. Solovyev, Zh. Fiz. Khim., 59 (1985) 1720 (in Russian). V.I. Baranov and A.N. Solovyev. Opt. Spektrosk., 62 (1987) 346 (in Russian).
    • (1987) Zh. Prikl. Spektrosk. , vol.46 , pp. 69
  • 32
    • 0039777887 scopus 로고
    • in Russian
    • V.I. Baranov and A.N. Solovyev, Zh. Prikl. Spektrosk., 40 (1984) 780; 46 (1987) 69 (in Russian). V.I. Baranov and A.N. Solovyev, Zh. Fiz. Khim., 59 (1985) 1720 (in Russian). V.I. Baranov and A.N. Solovyev. Opt. Spektrosk., 62 (1987) 346 (in Russian).
    • (1985) Zh. Fiz. Khim. , vol.59 , pp. 1720
    • Baranov, V.I.1    Solovyev, A.N.2
  • 33
    • 0342841532 scopus 로고
    • in Russian
    • V.I. Baranov and A.N. Solovyev, Zh. Prikl. Spektrosk., 40 (1984) 780; 46 (1987) 69 (in Russian). V.I. Baranov and A.N. Solovyev, Zh. Fiz. Khim., 59 (1985) 1720 (in Russian). V.I. Baranov and A.N. Solovyev. Opt. Spektrosk., 62 (1987) 346 (in Russian).
    • (1987) Opt. Spektrosk. , vol.62 , pp. 346
    • Baranov, V.I.1    Solovyev, A.N.2
  • 35
    • 0003466962 scopus 로고
    • Y.M. Kolotyrkin (Ed.), Khimiya, Moscow, in Russian
    • L.A. Gribov, in Y.M. Kolotyrkin (Ed.), Physical Chemistry, Contemporary Problems, Khimiya, Moscow, 1987 (in Russian). L.A. Gribov, A.T. Todorovsky and S.Ya. Plotkin, J. Mol. Struct., 212 (1989) 1.
    • (1987) Physical Chemistry, Contemporary Problems
    • Gribov, L.A.1
  • 36
    • 0342841531 scopus 로고
    • L.A. Gribov, in Y.M. Kolotyrkin (Ed.), Physical Chemistry, Contemporary Problems, Khimiya, Moscow, 1987 (in Russian). L.A. Gribov, A.T. Todorovsky and S.Ya. Plotkin, J. Mol. Struct., 212 (1989) 1.
    • (1989) J. Mol. Struct. , vol.212 , pp. 1
    • Gribov, L.A.1    Todorovsky, A.T.2    Plotkin, S.Ya.3
  • 47
    • 0001376044 scopus 로고
    • B.E. Kohler, C. Spangler and C. Westerfield, J. Chem. Phys., 89 (1988) 5422. R.L. Christensen and B.E. Kohler, J. Chem. Phys., 63 (1975) 1837. J.H. Simpson, L. McLaughlin, D.S. Smith and R.L. Christensen, J. Chem. Phys., 87 (1987) 3360.
    • (1988) J. Chem. Phys. , vol.89 , pp. 5422
    • Kohler, B.E.1    Spangler, C.2    Westerfield, C.3
  • 48
    • 0007799527 scopus 로고
    • B.E. Kohler, C. Spangler and C. Westerfield, J. Chem. Phys., 89 (1988) 5422. R.L. Christensen and B.E. Kohler, J. Chem. Phys., 63 (1975) 1837. J.H. Simpson, L. McLaughlin, D.S. Smith and R.L. Christensen, J. Chem. Phys., 87 (1987) 3360.
    • (1975) J. Chem. Phys. , vol.63 , pp. 1837
    • Christensen, R.L.1    Kohler, B.E.2
  • 49
  • 54
    • 0000647129 scopus 로고
    • F. Zerbetto, N.Z. Zgierski and G. Orlandi, Chem. Phys. Lett., 141 (1987) 138. G. Orlandi and F. Zerbetto, Chem. Phys., 108 (1986) 187. J.L. Bredas, M. Dorg and J.M. Andre, J. Chem. Phys., 83 (1985) 5242. M. Aoyagi, I. Ohmine and B.E. Kohler, J. Phys. Chem., 94 (1990) 3922.
    • (1987) Chem. Phys. Lett. , vol.141 , pp. 138
    • Zerbetto, F.1    Zgierski, N.Z.2    Orlandi, G.3
  • 55
    • 0000551451 scopus 로고
    • F. Zerbetto, N.Z. Zgierski and G. Orlandi, Chem. Phys. Lett., 141 (1987) 138. G. Orlandi and F. Zerbetto, Chem. Phys., 108 (1986) 187. J.L. Bredas, M. Dorg and J.M. Andre, J. Chem. Phys., 83 (1985) 5242. M. Aoyagi, I. Ohmine and B.E. Kohler, J. Phys. Chem., 94 (1990) 3922.
    • (1986) Chem. Phys. , vol.108 , pp. 187
    • Orlandi, G.1    Zerbetto, F.2
  • 56
    • 0000164343 scopus 로고
    • F. Zerbetto, N.Z. Zgierski and G. Orlandi, Chem. Phys. Lett., 141 (1987) 138. G. Orlandi and F. Zerbetto, Chem. Phys., 108 (1986) 187. J.L. Bredas, M. Dorg and J.M. Andre, J. Chem. Phys., 83 (1985) 5242. M. Aoyagi, I. Ohmine and B.E. Kohler, J. Phys. Chem., 94 (1990) 3922.
    • (1985) J. Chem. Phys. , vol.83 , pp. 5242
    • Bredas, J.L.1    Dorg, M.2    Andre, J.M.3
  • 57
    • 0000624793 scopus 로고
    • F. Zerbetto, N.Z. Zgierski and G. Orlandi, Chem. Phys. Lett., 141 (1987) 138. G. Orlandi and F. Zerbetto, Chem. Phys., 108 (1986) 187. J.L. Bredas, M. Dorg and J.M. Andre, J. Chem. Phys., 83 (1985) 5242. M. Aoyagi, I. Ohmine and B.E. Kohler, J. Phys. Chem., 94 (1990) 3922.
    • (1990) J. Phys. Chem. , vol.94 , pp. 3922
    • Aoyagi, M.1    Ohmine, I.2    Kohler, B.E.3
  • 59
    • 0000323347 scopus 로고
    • W.M. van Herpen, W.L. Meerts and A. Dymanus, J. Chem. Phys., 87 (1987) 182. B. Dick, E. Zinghar and Y. Haas, Chem. Phys. Lett., 187 (1991) 571.
    • (1991) Chem. Phys. Lett. , vol.187 , pp. 571
    • Dick, B.1    Zinghar, E.2    Haas, Y.3
  • 67
    • 36749116053 scopus 로고
    • A.N. Nikitina, I.S. Osadko, I.A. Vasilieva, L.A. Yanovskaya, Phys. Status Solidi B, 115 (1983) 493. T. Ikeyama and T. Azumi, J. Chem. Phys., 76 (1982) 5672.
    • (1982) J. Chem. Phys. , vol.76 , pp. 5672
    • Ikeyama, T.1    Azumi, T.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.