78
2 Molecular States
12. van Lenthe, E., Snijders, J.G., Baerends, E.J.: The zero-order regular approximation for relativistic effects: the effect of spin-orbit coupling in closed shell molecules. J. Chem. Phys. 105,
6505–6516 (1996)
13. Nakajima, T., Hirao, W.: The Douglas-Kroll-Hess approach. Chem. Rev. 112, 385–402 (2012)
14. Marian, C.M.: Spin-orbit coupling and intersystem crossing in molecules. WIREs Comput.
Mol. Sci. 2, 187–203 (2012)
15. Holbrook, K.A., Pilling, M.J., Robertson, S.H.: Unimolecular Reactions. Wiley, Chichester
(1996)
16. Tolman, R.C.: The Principles of Statistical Mechanics. Dover, Mineola (1979)
17. Beyer, T., Swinehart, D.F.: Algorithm 448. Number of multiply-restricted partitions. Comm.
ACM 16, 379 (1973)
18. Mota, R., Parafita, R., Giuliani, A., Hubin-Franskin, M.-J., Lourenço, J.M.C., Garcia, G., Hoffmann, S.V., Mason, N.J., Ribeiro, P.A., Raposo, M., Limão-Vieira, P.: Water VUV electronic
state spectroscopy by synchrotron radiation. Chem. Phys. Lett. 416, 152–159 (2005)
19. Rubio, M., Serrano-Andrés, L., Merchán, M.: Excited states of the water molecule: analysis of
the valence and Rydberg character. J. Chem. Phys. 128, 104305 (2008)
20. Jaffé, H.H., Orchin, M.: Theory and Applications of Ultraviolet Spectroscopy. Wiley, New
York (1962)
21. Montalti, M., Credi, A., Prodi, L., Gandolfi, M.T.: Handbook of Photochemistry. CRC Press,
Boca Raton (2006)
22. Dabestani, R., Ivanov, I.N.: A compilation of physical, spectroscopic and photophysical properties of polycyclic aromatic hydrocarbons. Photochem. Photobiol. 70, 10–34 (1999)
23. Klán, P., Wirz, J.: Photochemistry Of Organic Compounds: From Concepts to Practice. Wiley,
Chichester (2009)
24. Turro, N.J., Ramamurthy, V., Scaiano, J.C.: Modern Molecular Photochemistry of Organic
Molecules. University Science Books, Sausalito (2010)
25. Hoffmann, R., Woodward, R.B.: Conservation of orbital symmetry. Acc. Chem. Res. 1, 17–22
(1968)
26. Reichardt, C., Welton, T.: Solvents and Solvent Effects in Organic Chemistry. Wiley-VCH,
Weinheim (2011)
27. Lakowicz, J.R.: Principles of Fluorescence Spectroscopy. Springer, New York (2006)
28. Mennucci, B., Cammi, R. (eds.): Continuum Solvation Models in Chemical Physics. Wiley,
Chichester (2007)
29. Baba, H., Goodman, L., Valenti, P.C.: Solvent effects on the fluorescence spectra of diazines.
Dipole moments in the (n,π ∗ ) excited states. J. Am. Chem. Soc. 88, 5410–5415 (1966)
30. Kumar, ChV, Chattopadhyay, S.K., Das, P.K.: A laser flash photolysis study of pyrene-1aldehyde. Intersystem crossing efficiency, photoreactivity and triplet state properties in various
solvents. Photochem. Photobiol. 38, 141–152 (1983)
31. Szabo, A., Ostlund, N.S.: Modern Quantum Chemistry. Introduction to Advanced Electronic
Structure Theory. Dover, Mineola (1996)
32. Helgaker, T., Jørgensen, P., Olsen, J.: Molecular Electronic-Structure Theory. Wiley, Chichester
(2000)
33. Hiberty, P.C., Humbel, S., Byrman, C.P., van Lenthe, J.H.: Compact valence bond functions
with breathing orbitals: application to the bond dissociation energies of F 2 and FH. J. Chem.
Phys. 101, 5969–5976 (1994)
34. Schmidt, M.W., Gordon, M.S.: The construction and interpretation of MCSCF wavefunctions.
Annu. Rev. Phys. Chem. 49, 233–266 (1998)
35. Andersson, K., Malmqvist, P., Roos, B.O.: Second-order perturbation theory with a complete
active space self-consistent field reference function. J. Chem. Phys. 96, 1218–1226 (1992)
36. Angeli, C., Pastore, M., Cimiraglia, R.: New perspectives in multireference perturbation theory:
the n-electron valence state approach. Theor. Chem. Acc. 117, 743–754 (2007)
2 Molecular States
12. van Lenthe, E., Snijders, J.G., Baerends, E.J.: The zero-order regular approximation for relativistic effects: the effect of spin-orbit coupling in closed shell molecules. J. Chem. Phys. 105,
6505–6516 (1996)
13. Nakajima, T., Hirao, W.: The Douglas-Kroll-Hess approach. Chem. Rev. 112, 385–402 (2012)
14. Marian, C.M.: Spin-orbit coupling and intersystem crossing in molecules. WIREs Comput.
Mol. Sci. 2, 187–203 (2012)
15. Holbrook, K.A., Pilling, M.J., Robertson, S.H.: Unimolecular Reactions. Wiley, Chichester
(1996)
16. Tolman, R.C.: The Principles of Statistical Mechanics. Dover, Mineola (1979)
17. Beyer, T., Swinehart, D.F.: Algorithm 448. Number of multiply-restricted partitions. Comm.
ACM 16, 379 (1973)
18. Mota, R., Parafita, R., Giuliani, A., Hubin-Franskin, M.-J., Lourenço, J.M.C., Garcia, G., Hoffmann, S.V., Mason, N.J., Ribeiro, P.A., Raposo, M., Limão-Vieira, P.: Water VUV electronic
state spectroscopy by synchrotron radiation. Chem. Phys. Lett. 416, 152–159 (2005)
19. Rubio, M., Serrano-Andrés, L., Merchán, M.: Excited states of the water molecule: analysis of
the valence and Rydberg character. J. Chem. Phys. 128, 104305 (2008)
20. Jaffé, H.H., Orchin, M.: Theory and Applications of Ultraviolet Spectroscopy. Wiley, New
York (1962)
21. Montalti, M., Credi, A., Prodi, L., Gandolfi, M.T.: Handbook of Photochemistry. CRC Press,
Boca Raton (2006)
22. Dabestani, R., Ivanov, I.N.: A compilation of physical, spectroscopic and photophysical properties of polycyclic aromatic hydrocarbons. Photochem. Photobiol. 70, 10–34 (1999)
23. Klán, P., Wirz, J.: Photochemistry Of Organic Compounds: From Concepts to Practice. Wiley,
Chichester (2009)
24. Turro, N.J., Ramamurthy, V., Scaiano, J.C.: Modern Molecular Photochemistry of Organic
Molecules. University Science Books, Sausalito (2010)
25. Hoffmann, R., Woodward, R.B.: Conservation of orbital symmetry. Acc. Chem. Res. 1, 17–22
(1968)
26. Reichardt, C., Welton, T.: Solvents and Solvent Effects in Organic Chemistry. Wiley-VCH,
Weinheim (2011)
27. Lakowicz, J.R.: Principles of Fluorescence Spectroscopy. Springer, New York (2006)
28. Mennucci, B., Cammi, R. (eds.): Continuum Solvation Models in Chemical Physics. Wiley,
Chichester (2007)
29. Baba, H., Goodman, L., Valenti, P.C.: Solvent effects on the fluorescence spectra of diazines.
Dipole moments in the (n,π ∗ ) excited states. J. Am. Chem. Soc. 88, 5410–5415 (1966)
30. Kumar, ChV, Chattopadhyay, S.K., Das, P.K.: A laser flash photolysis study of pyrene-1aldehyde. Intersystem crossing efficiency, photoreactivity and triplet state properties in various
solvents. Photochem. Photobiol. 38, 141–152 (1983)
31. Szabo, A., Ostlund, N.S.: Modern Quantum Chemistry. Introduction to Advanced Electronic
Structure Theory. Dover, Mineola (1996)
32. Helgaker, T., Jørgensen, P., Olsen, J.: Molecular Electronic-Structure Theory. Wiley, Chichester
(2000)
33. Hiberty, P.C., Humbel, S., Byrman, C.P., van Lenthe, J.H.: Compact valence bond functions
with breathing orbitals: application to the bond dissociation energies of F 2 and FH. J. Chem.
Phys. 101, 5969–5976 (1994)
34. Schmidt, M.W., Gordon, M.S.: The construction and interpretation of MCSCF wavefunctions.
Annu. Rev. Phys. Chem. 49, 233–266 (1998)
35. Andersson, K., Malmqvist, P., Roos, B.O.: Second-order perturbation theory with a complete
active space self-consistent field reference function. J. Chem. Phys. 96, 1218–1226 (1992)
36. Angeli, C., Pastore, M., Cimiraglia, R.: New perspectives in multireference perturbation theory:
the n-electron valence state approach. Theor. Chem. Acc. 117, 743–754 (2007)