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Eady, R.R.1
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85033096254
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Orlando, Florida; Detailed work on this subject which includes INDO and density functional theory calculations is in preparation
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Stavrev KK, Zerner MC (1996) 212th Natl ACS Meeting, Orlando, Florida; Detailed work on this subject which includes INDO and density functional theory calculations is in preparation
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(1996)
212th Natl ACS Meeting
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Stavrev, K.K.1
Zerner, M.C.2
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58149323130
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Stavrev KK, Zerner MC (1995) Chem Phys Lett 233:179; Stavrev KK, Zerner MC (1995) J Chem Phys 102:34; Stavrev KK, Zerner MC, Meyer TJ (1995) J Am Chem Soc 117:8684
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Stavrev KK, Zerner MC (1995) Chem Phys Lett 233:179; Stavrev KK, Zerner MC (1995) J Chem Phys 102:34; Stavrev KK, Zerner MC, Meyer TJ (1995) J Am Chem Soc 117:8684
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Stavrev, K.K.1
Zerner, M.C.2
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84990658534
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Zerner MC (1989) Int J Quantum Chem 35:567; see also, McWeeny R (1989) Methods of molecular quantum mechanics, 2nd edn. Academic Press, London
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Int J Quantum Chem
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Zerner, M.C.1
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Estiu G, Zerner MC (1994) J Phys Chem 98:4793; (1994) J Phys Chem 98:9972
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(1994)
J Phys Chem
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24
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36849122209
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For PUHF methodology, see Harriman JE (1964) J Chem Phys 40:2827; Phillips DH, Schug JC (1974) J Chem Phys 61:1031, and references therein; Zerner MC, Cory MG (in preparation)
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(1964)
J Chem Phys
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Harriman, J.E.1
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25
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0003528868
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For PUHF methodology, see Harriman JE (1964) J Chem Phys 40:2827; Phillips DH, Schug JC (1974) J Chem Phys 61:1031, and references therein; Zerner MC, Cory MG (in preparation)
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J Chem Phys
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Phillips, D.H.1
Schug, J.C.2
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26
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36849122209
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in preparation
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For PUHF methodology, see Harriman JE (1964) J Chem Phys 40:2827; Phillips DH, Schug JC (1974) J Chem Phys 61:1031, and references therein; Zerner MC, Cory MG (in preparation)
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Zerner, M.C.1
Cory, M.G.2
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27
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0003646553
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University of Florida, Gainesville, Florida
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Zerner M, ZINDO program package, Quantum Theory Project, University of Florida, Gainesville, Florida; see also, Zerner MC, Loew GH, Kirchner R, Müller-Westerhoff U (1980) J Am Chem Soc 102:589; Ridley JE; Zerner MC (1973) Theor Chim Acta 32:118; Bacon AD, Zerner MC (1979) Theor Chim Acta 53:21
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Zindo Program Package, Quantum Theory Project
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Zerner, M.1
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33847086509
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Zerner M, ZINDO program package, Quantum Theory Project, University of Florida, Gainesville, Florida; see also, Zerner MC, Loew GH, Kirchner R, Müller-Westerhoff U (1980) J Am Chem Soc 102:589; Ridley JE; Zerner MC (1973) Theor Chim Acta 32:118; Bacon AD, Zerner MC (1979) Theor Chim Acta 53:21
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Zerner, M.C.1
Loew, G.H.2
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Müller-Westerhoff, U.4
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29
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0011528129
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Zerner M, ZINDO program package, Quantum Theory Project, University of Florida, Gainesville, Florida; see also, Zerner MC, Loew GH, Kirchner R, Müller-Westerhoff U (1980) J Am Chem Soc 102:589; Ridley JE; Zerner MC (1973) Theor Chim Acta 32:118; Bacon AD, Zerner MC (1979) Theor Chim Acta 53:21
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Ridley, J.E.1
Zerner, M.C.2
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0002269160
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Zerner M, ZINDO program package, Quantum Theory Project, University of Florida, Gainesville, Florida; see also, Zerner MC, Loew GH, Kirchner R, Müller-Westerhoff U (1980) J Am Chem Soc 102:589; Ridley JE; Zerner MC (1973) Theor Chim Acta 32:118; Bacon AD, Zerner MC (1979) Theor Chim Acta 53:21
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Zerner, M.C.2
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85033080649
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note
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For Mulliken population analysis we assume that the basis employed for the calculations is related to Slater-type orbitals through symmetric orthogonalization
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Malinak, S.M.1
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McKenna, C.E.4
Coucouvanis, D.5
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0001116126
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True AE, Nelson MJ, Venters RA, Orme-Johnson WH, Hoffmann BM (1988) J Am Chem Soc 110:1935; Rawlings J, Shan VK, Chinsell JR, Brill WJ, Zimmermann R, Münck E, Orme-Johnson WH (1978) J Biol Chem 253:1001; for overview, see Stiefel EI, George GN (1994) In: Bertini I, Gray HB, Lippard SJ, Valentine JS (eds) Bioinorganic chemistry. University Science, Mill Valley, California, p 365
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True AE, Nelson MJ, Venters RA, Orme-Johnson WH, Hoffmann BM (1988) J Am Chem Soc 110:1935; Rawlings J, Shan VK, Chinsell JR, Brill WJ, Zimmermann R, Münck E, Orme-Johnson WH (1978) J Biol Chem 253:1001; for overview, see Stiefel EI, George GN (1994) In: Bertini I, Gray HB, Lippard SJ, Valentine JS (eds) Bioinorganic chemistry. University Science, Mill Valley, California, p 365
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37
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0001116126
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Bertini I, Gray HB, Lippard SJ, Valentine JS (eds) University Science, Mill Valley, California
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True AE, Nelson MJ, Venters RA, Orme-Johnson WH, Hoffmann BM (1988) J Am Chem Soc 110:1935; Rawlings J, Shan VK, Chinsell JR, Brill WJ, Zimmermann R, Münck E, Orme-Johnson WH (1978) J Biol Chem 253:1001; for overview, see Stiefel EI, George GN (1994) In: Bertini I, Gray HB, Lippard SJ, Valentine JS (eds) Bioinorganic chemistry. University Science, Mill Valley, California, p 365
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Coucouvanis, D.1
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