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Volumn 11, Issue 2, 2012, Pages 397-408

A quantum chemical investigation of the electronic structure of thionine

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EID: 84856732028     PISSN: 1474905X     EISSN: 14749092     Source Type: Journal    
DOI: 10.1039/c1pp05267e     Document Type: Article
Times cited : (31)

References (77)
  • 3
    • 37049079845 scopus 로고
    • Electrocatalysis of poly(thionine)-modified electrodes for oxidation of reduced nicotinamide adenine dinucleotide
    • T. Ohsaka K. Tanaka K. Tokuda Electrocatalysis of poly(thionine)-modified electrodes for oxidation of reduced nicotinamide adenine dinucleotide J. Chem. Soc., Chem. Commun. 1993 222
    • (1993) J. Chem. Soc., Chem. Commun. , pp. 222
    • Ohsaka, T.1    Tanaka, K.2    Tokuda, K.3
  • 4
    • 84996029600 scopus 로고
    • Preparation of Poly(thionine)-Modified Electrode and Its Application to an Electrochemical Detector for the Flow-Injection Analysis of NADH
    • K. Tanaka S. Ikeda N. Oyama K. Tokuda T. Ohsaka Preparation of Poly(thionine)-Modified Electrode and Its Application to an Electrochemical Detector for the Flow-Injection Analysis of NADH Anal. Sci. 1993 9 783 (Pubitemid 24760555)
    • (1993) Analytical Sciences , vol.9 , Issue.6 , pp. 783
    • Tanaka, K.1    Ikeda, S.2    Oyama, N.3    Tokuda, K.4
  • 5
    • 0011548691 scopus 로고    scopus 로고
    • The mechanism of the photoinitiation of the polymerization of MMA by the thionine-triethanolamine system
    • M. G. Neumann M. R. Rodrigues The mechanism of the photoinitiation of the polymerization of MMA by the thionine-triethanolamine system Polymer 1998 39 1657
    • (1998) Polymer , vol.39 , pp. 1657
    • Neumann, M.G.1    Rodrigues, M.R.2
  • 6
    • 33846960216 scopus 로고    scopus 로고
    • In situ characterization of electrochemical polymerization of methylene green on platinum electrodes
    • V. Svoboda M. J. Cooney C. Rippolz B. Y. Liaw In situ characterization of electrochemical polymerization of methylene green on platinum electrodes J. Electrochem. Soc. 2007 154 D113
    • (2007) J. Electrochem. Soc. , vol.154 , pp. 113
    • Svoboda, V.1    Cooney, M.J.2    Rippolz, C.3    Liaw, B.Y.4
  • 7
    • 33751539836 scopus 로고    scopus 로고
    • Phenothiazinium derivatives for pathogen inactivation in blood products
    • M. Wainwright H. Mohr W. H. Walker Phenothiazinium derivatives for pathogen inactivation in blood products J. Photochem. Photobiol., B 2007 86 45
    • (2007) J. Photochem. Photobiol., B , vol.86 , pp. 45
    • Wainwright, M.1    Mohr, H.2    Walker, W.H.3
  • 8
    • 0027142902 scopus 로고
    • Photochemical reactions of methylene blue and analogues with DNA and other biological substrates
    • E. M. Tuite J. M. Kelly Photochemical reactions of methylene blue and analogues with DNA and other biological substrates J. Photochem. Photobiol., B 1993 21 103
    • (1993) J. Photochem. Photobiol., B , vol.21 , pp. 103
    • Tuite, E.M.1    Kelly, J.M.2
  • 10
    • 30344434972 scopus 로고    scopus 로고
    • The development of phenothiazinium photosensitisers
    • M. Wainwright The development of phenothiazinium photosensitisers Photodiagn. Photodyn. Ther. 2005 2 263
    • (2005) Photodiagn. Photodyn. Ther. , vol.2 , pp. 263
    • Wainwright, M.1
  • 12
    • 0032521297 scopus 로고    scopus 로고
    • Photobactericidal activity of phenothiazinium dyes against methicillin-resistant strains of Staphylococcus aureus
    • M. Wainwright D. A. Phoenix S. L. Laycock D. R. Wareing P. A. Wright Photobactericidal activity of phenothiazinium dyes against methicillin-resistant strains of Staphylococcus aureus FEMS Microbiol. Lett. 1998 160 177
    • (1998) FEMS Microbiol. Lett. , vol.160 , pp. 177
    • Wainwright, M.1    Phoenix, D.A.2    Laycock, S.L.3    Wareing, D.R.4    Wright, P.A.5
  • 13
    • 33747502536 scopus 로고    scopus 로고
    • Synthesis and Properties of Benzo[a]phenoxazinium Chalcogen Analogues as Novel Broad-Spectrum Antimicrobial Photosensitizers
    • J. W. Foley X. Song T. N. Demidova F. Jalil M. R. Hamblin Synthesis and Properties of Benzo[a]phenoxazinium Chalcogen Analogues as Novel Broad-Spectrum Antimicrobial Photosensitizers J. Med. Chem. 2006 49 5291
    • (2006) J. Med. Chem. , vol.49 , pp. 5291
    • Foley, J.W.1    Song, X.2    Demidova, T.N.3    Jalil, F.4    Hamblin, M.R.5
  • 14
    • 0031821590 scopus 로고    scopus 로고
    • Photodynamic antimicrobial chemotherapy (PACT)
    • M. Wainwright Photodynamic antimicrobial chemotherapy (PACT) J. Antimicrob. Chemother. 1998 42 13
    • (1998) J. Antimicrob. Chemother. , vol.42 , pp. 13
    • Wainwright, M.1
  • 15
    • 0039079392 scopus 로고
    • The chemotherapy of Plasmodium berghei. I. Resistance to drugs
    • J. P. Thurston The chemotherapy of Plasmodium berghei. I. Resistance to drugs Parasitology 1953 43 246
    • (1953) Parasitology , vol.43 , pp. 246
    • Thurston, J.P.1
  • 16
    • 29344473291 scopus 로고    scopus 로고
    • Trypanocidal activity of methylene blue. Evidence for in vitro efficacy and in vivo failure
    • C. Boda B. Enanga B. Courtioux J. C. Breton B. Bouteille Trypanocidal activity of methylene blue. Evidence for in vitro efficacy and in vivo failure Chemotherapy 2006 52 16
    • (2006) Chemotherapy , vol.52 , pp. 16
    • Boda, C.1    Enanga, B.2    Courtioux, B.3    Breton, J.C.4    Bouteille, B.5
  • 17
    • 0000658480 scopus 로고
    • Photoelectrochemical studies of thionine dye in aqueous surfactant solution
    • B. B. Bhowmik M. Mukhopadhyay Photoelectrochemical studies of thionine dye in aqueous surfactant solution J. Photochem. Photobiol., A 1994 78 173
    • (1994) J. Photochem. Photobiol., A , vol.78 , pp. 173
    • Bhowmik, B.B.1    Mukhopadhyay, M.2
  • 18
    • 0026114398 scopus 로고
    • Photoinduced interaction of thionine with phospholipid and cholesterol in artificial membranes
    • C. SenVarma B. B. Bhowmik Photoinduced interaction of thionine with phospholipid and cholesterol in artificial membranes J. Photochem. Photobiol., B 1991 8 295
    • (1991) J. Photochem. Photobiol., B , vol.8 , pp. 295
    • Senvarma, C.1    Bhowmik, B.B.2
  • 19
    • 33748091673 scopus 로고
    • The photogalvanic effect I: The photochemical properties of the thionine-iron system
    • E. Rabinowitch The photogalvanic effect I: the photochemical properties of the thionine-iron system J. Chem. Phys. 1940 8 551
    • (1940) J. Chem. Phys. , vol.8 , pp. 551
    • Rabinowitch, E.1
  • 20
    • 0001493789 scopus 로고
    • The photogalvanic effect II: The photogalvanic properties of the thionine-iron system
    • E. Rabinowitch The photogalvanic effect II: the photogalvanic properties of the thionine-iron system J. Chem. Phys. 1940 8 560
    • (1940) J. Chem. Phys. , vol.8 , pp. 560
    • Rabinowitch, E.1
  • 21
    • 0000651349 scopus 로고
    • The thionine-ferrous iron reaction in a heterogeneous system
    • K. G. Mathai E. Rabinowitch The thionine-ferrous iron reaction in a heterogeneous system J. Phys. Chem. 1962 66 663
    • (1962) J. Phys. Chem. , vol.66 , pp. 663
    • Mathai, K.G.1    Rabinowitch, E.2
  • 22
    • 84981689071 scopus 로고
    • Anion and solvent effects on the rate of reduction of triplet excited thiazine dyes by ferrous ions
    • P. D. Wildes N. N. Lichtin M. Z. Hoffman L. Andrews H. Linschitz Anion and solvent effects on the rate of reduction of triplet excited thiazine dyes by ferrous ions Photochem. Photobiol. 1977 25 21
    • (1977) Photochem. Photobiol. , vol.25 , pp. 21
    • Wildes, P.D.1    Lichtin, N.N.2    Hoffman, M.Z.3    Andrews, L.4    Linschitz, H.5
  • 25
    • 46549101672 scopus 로고
    • Thionine triplet relaxation in pyridine: A completely time-resolved forster cycle
    • H. Eipper M. H. Abdel-Kader H. E. A. Kramer Thionine triplet relaxation in pyridine: a completely time-resolved forster cycle J. Photochem. 1985 28 3 433
    • (1985) J. Photochem. , vol.28 , Issue.3 , pp. 433
    • Eipper, H.1    Abdel-Kader, M.H.2    Kramer, H.E.A.3
  • 26
    • 33845471508 scopus 로고
    • Formation of H Aggregates of Thionine Dye in Water
    • W. C. Lai N. S. Dixit R. A. Mackay Formation of H Aggregates of Thionine Dye in Water J. Phys. Chem. 1984 88 5364
    • (1984) J. Phys. Chem. , vol.88 , pp. 5364
    • Lai, W.C.1    Dixit, N.S.2    MacKay, R.A.3
  • 27
    • 0001138788 scopus 로고
    • Dimeric and Other Forms of Methylene Blue: Absorption and Fluorescence of the Pure Monomer
    • G. N. Lewis O. Goldschmid T. T. Magel J. Bigeleisen Dimeric and Other Forms of Methylene Blue: Absorption and Fluorescence of the Pure Monomer J. Am. Chem. Soc. 1943 65 6 1150
    • (1943) J. Am. Chem. Soc. , vol.65 , Issue.6 , pp. 1150
    • Lewis, G.N.1    Goldschmid, O.2    Magel, T.T.3    Bigeleisen, J.4
  • 28
    • 33947447042 scopus 로고
    • Polymerization of Dyestuffs in Solution. Thionine and Methylene Blue
    • E. Rabinowitch L. F. Epstein Polymerization of Dyestuffs in Solution. Thionine and Methylene Blue J. Am. Chem. Soc. 1941 63 69
    • (1941) J. Am. Chem. Soc. , vol.63 , pp. 69
    • Rabinowitch, E.1    Epstein, L.F.2
  • 29
    • 84973374939 scopus 로고
    • Reactions of dyes with cell substances II. The, differential staining of nucleoprotein and mucin by thionine and similar dyes
    • E. G. Kelley E. G. Miller Reactions of dyes with cell substances II. The, differential staining of nucleoprotein and mucin by thionine and similar dyes J. Biol. Chem. 1935 110 119
    • (1935) J. Biol. Chem. , vol.110 , pp. 119
    • Kelley, E.G.1    Miller, E.G.2
  • 30
    • 84981595308 scopus 로고
    • Sensitized photooxygenation according to type i mechanism (radical mechanism) - Part I. flash photolysis experiments
    • H. E. A. Kramer A. Maute Sensitized photooxygenation according to type i mechanism (radical mechanism)-part I. flash photolysis experiments Photochem. Photobiol. 1972 15 7
    • (1972) Photochem. Photobiol. , vol.15 , pp. 7
    • Kramer, H.E.A.1    Maute, A.2
  • 31
    • 34548593866 scopus 로고    scopus 로고
    • Spectroscopic characterization of thionine species in different media
    • V. E. Nicotra M. F. Mora R. A. Iglesias A. M. Baruzzi Spectroscopic characterization of thionine species in different media Dyes Pigm. 2008 76 2 315
    • (2008) Dyes Pigm. , vol.76 , Issue.2 , pp. 315
    • Nicotra, V.E.1    Mora, M.F.2    Iglesias, R.A.3    Baruzzi, A.M.4
  • 32
    • 33751392668 scopus 로고
    • Photosensitization of Large-Bandgap Semiconductors. Charge Injection from Triplet Excited Thionine into ZnO Colloids
    • B. Patrick P. V. Kamat Photosensitization of Large-Bandgap Semiconductors. Charge Injection from Triplet Excited Thionine into ZnO Colloids J. Phys. Chem. 1992 96 1423
    • (1992) J. Phys. Chem. , vol.96 , pp. 1423
    • Patrick, B.1    Kamat, P.V.2
  • 34
    • 84981641739 scopus 로고
    • A theoretical treatment of the electronic states of thionine and related molecules
    • U. Sommer H. E. A. Kramer A theoretical treatment of the electronic states of thionine and related molecules Photochem. Photobiol. 1971 13 387
    • (1971) Photochem. Photobiol. , vol.13 , pp. 387
    • Sommer, U.1    Kramer, H.E.A.2
  • 35
    • 0041030761 scopus 로고
    • The use of basic dyes as photochemical probes
    • M. G. Neumann M. J. Tiera The use of basic dyes as photochemical probes Química Nova 1993 16 4 280
    • (1993) Química Nova , vol.16 , Issue.4 , pp. 280
    • Neumann, M.G.1    Tiera, M.J.2
  • 36
    • 0003193392 scopus 로고    scopus 로고
    • Can H-Aggregates Serve as Light-Harvesting Antennae? Triplet-Triplet Energy Transfer between Excited Aggregates and Monomer Thionine in Aersol-OT Solutions
    • S. Das P. V. Kamat Can H-Aggregates Serve as Light-Harvesting Antennae? Triplet-Triplet Energy Transfer between Excited Aggregates and Monomer Thionine in Aersol-OT Solutions J. Phys. Chem. B 1999 103 209
    • (1999) J. Phys. Chem. B , vol.103 , pp. 209
    • Das, S.1    Kamat, P.V.2
  • 37
    • 33947475470 scopus 로고
    • Ionic association in aqueous solutions of thionine
    • G. R. Haugen E. R. Hardwick Ionic association in aqueous solutions of thionine J. Phys. Chem. 1963 67 725
    • (1963) J. Phys. Chem. , vol.67 , pp. 725
    • Haugen, G.R.1    Hardwick, E.R.2
  • 38
    • 0003585146 scopus 로고
    • Ionic association in solutions of thionine. II. Fluorescence and solvent effects
    • G. R. Haugen E. R. Hardwick Ionic association in solutions of thionine. II. Fluorescence and solvent effects J. Phys. Chem. 1965 69 2988
    • (1965) J. Phys. Chem. , vol.69 , pp. 2988
    • Haugen, G.R.1    Hardwick, E.R.2
  • 39
    • 0001454132 scopus 로고
    • Investigation of physical triplet quenching by electron donors
    • U. Steiner G. Winter H. E. A. Kramer Investigation of physical triplet quenching by electron donors J. Phys. Chem. 1977 81 1104
    • (1977) J. Phys. Chem. , vol.81 , pp. 1104
    • Steiner, U.1    Winter, G.2    Kramer, H.E.A.3
  • 40
    • 0000181983 scopus 로고
    • Determination of S*-T transition probabilities of some xantene and thiazine dyes on the basis of T-energy transfer. II. Results in the aqueous solution
    • M. Nemoto H. Kokubun M. Koizumi Determination of S*-T transition probabilities of some xantene and thiazine dyes on the basis of T-energy transfer. II. Results in the aqueous solution Bull. Chem. Soc. Jpn. 1969 42 2464
    • (1969) Bull. Chem. Soc. Jpn. , vol.42 , pp. 2464
    • Nemoto, M.1    Kokubun, H.2    Koizumi, M.3
  • 41
    • 85090883277 scopus 로고
    • Determination of quantum yield of singlet oxygen formation by photosensitization
    • Y. Usui Determination of quantum yield of singlet oxygen formation by photosensitization Chem. Lett. 1973 743
    • (1973) Chem. Lett. , pp. 743
    • Usui, Y.1
  • 42
    • 84918177691 scopus 로고
    • Light flash investigations on the fading out reaction of thionine with allylthiourea
    • H. Fischer Light flash investigations on the fading out reaction of thionine with allylthiourea Z. Phys. Chem. 1964 43 177
    • (1964) Z. Phys. Chem. , vol.43 , pp. 177
    • Fischer, H.1
  • 43
    • 0016966550 scopus 로고
    • Photochemical investigations of oxazine, thiazine and selenazine dyes. The reactivity of protolytic triplet forms in electron transfer reactions
    • E. Vogelmann H. E. A. Kramer Photochemical investigations of oxazine, thiazine and selenazine dyes. The reactivity of protolytic triplet forms in electron transfer reactions Photochem. Photobiol. 1976 23 383
    • (1976) Photochem. Photobiol. , vol.23 , pp. 383
    • Vogelmann, E.1    Kramer, H.E.A.2
  • 44
    • 0014086726 scopus 로고
    • Etude en spectroscopie par eclair des colorants thiaziniques en solution aqueuse
    • J. Faure R. Bonneau J. Joussot-Dubien Etude en spectroscopie par eclair des colorants thiaziniques en solution aqueuse Photochem. Photobiol. 1967 6 331
    • (1967) Photochem. Photobiol. , vol.6 , pp. 331
    • Faure, J.1    Bonneau, R.2    Joussot-Dubien, J.3
  • 45
    • 0016651516 scopus 로고
    • PH dependence of singlet oxygen production in aqueous solutions using thiazine dyes as photosensitizers
    • R. Bonneau R. Pottier O. Bagno J. Joussot-Dubien pH dependence of singlet oxygen production in aqueous solutions using thiazine dyes as photosensitizers Photochem. Photobiol. 1975 21 159
    • (1975) Photochem. Photobiol. , vol.21 , pp. 159
    • Bonneau, R.1    Pottier, R.2    Bagno, O.3    Joussot-Dubien, J.4
  • 48
    • 0000230721 scopus 로고    scopus 로고
    • A combination of Kohn-Sham density functional theory and multi-reference configuration interaction methods
    • S. Grimme M. Waletzke A combination of Kohn-Sham density functional theory and multi-reference configuration interaction methods J. Chem. Phys. 1999 111 5645
    • (1999) J. Chem. Phys. , vol.111 , pp. 5645
    • Grimme, S.1    Waletzke, M.2
  • 49
    • 0000189651 scopus 로고
    • Density-functional thermochemistry. III. The role of exact exchange
    • A. D. Becke Density-functional thermochemistry. III. The role of exact exchange J. Chem. Phys. 1993 98 5648
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648
    • Becke, A.D.1
  • 50
    • 0001629861 scopus 로고
    • Quantum mechanics of many-electron systems
    • P. A. M. Dirac Quantum mechanics of many-electron systems Proc. R. Soc. London, Ser. A 1929 123 714
    • (1929) Proc. R. Soc. London, Ser. A , vol.123 , pp. 714
    • Dirac, P.A.M.1
  • 52
    • 26244468571 scopus 로고    scopus 로고
    • The electronic spectrum of protonated adenine: Theory and experiment
    • C. Marian D. Nolting R. Weinkauf The electronic spectrum of protonated adenine: Theory and experiment Phys. Chem. Chem. Phys. 2005 7 3306
    • (2005) Phys. Chem. Chem. Phys. , vol.7 , pp. 3306
    • Marian, C.1    Nolting, D.2    Weinkauf, R.3
  • 53
    • 52049110048 scopus 로고    scopus 로고
    • Effects of protonation and deprotonation on the excitation energies of lumiflavin
    • S. Salzmann C. M. Marian Effects of protonation and deprotonation on the excitation energies of lumiflavin Chem. Phys. Lett. 2008 463 400
    • (2008) Chem. Phys. Lett. , vol.463 , pp. 400
    • Salzmann, S.1    Marian, C.M.2
  • 55
    • 0030570285 scopus 로고    scopus 로고
    • Treatment of Electronic Excitations within the Adiabatic Approximation of Time Dependent Density Functional Theory
    • R. Bauernschmitt R. Ahlrichs Treatment of Electronic Excitations within the Adiabatic Approximation of Time Dependent Density Functional Theory Chem. Phys. Lett. 1996 256 454
    • (1996) Chem. Phys. Lett. , vol.256 , pp. 454
    • Bauernschmitt, R.1    Ahlrichs, R.2
  • 56
    • 0011083273 scopus 로고    scopus 로고
    • Harmonic vibrational frequencies: An evaluation of Hartree-Fock, Møller-Plesset, quadratic configuration interaction, density functional theory, and semiempirical scale factors
    • A. P. Scott L. Radom Harmonic vibrational frequencies: an evaluation of Hartree-Fock, Møller-Plesset, quadratic configuration interaction, density functional theory, and semiempirical scale factors J. Phys. Chem. 1996 100 16502
    • (1996) J. Phys. Chem. , vol.100 , pp. 16502
    • Scott, A.P.1    Radom, L.2
  • 57
    • 0039209924 scopus 로고
    • Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
    • A. Schäfer C. Huber R. Ahlrichs Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr J. Chem. Phys. 1994 100 5829
    • (1994) J. Chem. Phys. , vol.100 , pp. 5829
    • Schäfer, A.1    Huber, C.2    Ahlrichs, R.3
  • 58
    • 33947510007 scopus 로고    scopus 로고
    • The guanine tautomer puzzle: Quantum chemical investigation of ground and excited states
    • C. M. Marian The guanine tautomer puzzle: quantum chemical investigation of ground and excited states J. Phys. Chem. A 2007 111 8 1545
    • (2007) J. Phys. Chem. A , vol.111 , Issue.8 , pp. 1545
    • Marian, C.M.1
  • 59
    • 41949111772 scopus 로고    scopus 로고
    • Benchmarks for electronically excited states: CASPT2, CC2, CCSD and CC3
    • M. Schreiber M. R. Silva-Junior S. P. A. Sauer W. Thiel Benchmarks for electronically excited states: CASPT2, CC2, CCSD and CC3 J. Chem. Phys. 2008 128 134110
    • (2008) J. Chem. Phys. , vol.128 , pp. 134110
    • Schreiber, M.1    Silva-Junior, M.R.2    Sauer, S.P.A.3    Thiel, W.4
  • 60
    • 0345491105 scopus 로고
    • Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
    • C. Lee W. Yang R. G. Parr Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Phys. Rev. B 1988 37 785
    • (1988) Phys. Rev. B , vol.37 , pp. 785
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 61
    • 34250817103 scopus 로고
    • A new mixing of Hartree-Fock and local density-functional theories
    • A. D. Becke A new mixing of Hartree-Fock and local density-functional theories J. Chem. Phys. 1993 98 1372
    • (1993) J. Chem. Phys. , vol.98 , pp. 1372
    • Becke, A.D.1
  • 62
    • 10844225583 scopus 로고
    • The second-order approximate coupled cluster singles and doubles model CC2
    • O. Christiansen H. Koch P. Jørgensen The second-order approximate coupled cluster singles and doubles model CC2 Chem. Phys. Lett. 1995 243 409
    • (1995) Chem. Phys. Lett. , vol.243 , pp. 409
    • Christiansen, O.1    Koch, H.2    Jørgensen, P.3
  • 64
    • 84961980743 scopus 로고
    • COSMO: A new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
    • A. Klamt G. Schürmann COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient J. Chem. Soc., Perkin Trans. 2 1993 799
    • (1993) J. Chem. Soc., Perkin Trans. 2 , pp. 799
    • Klamt, A.1    Schürmann, G.2
  • 65
    • 0034656445 scopus 로고    scopus 로고
    • COSMO Implementation in TURBOMOLE: Extension of an efficient quantum chemical code towards liquid systems
    • A. Schäfer A. Klamt D. Sattel J. C. W. Lohrenz F. Eckert COSMO Implementation in TURBOMOLE: Extension of an efficient quantum chemical code towards liquid systems Phys. Chem. Chem. Phys. 2000 2 2187
    • (2000) Phys. Chem. Chem. Phys. , vol.2 , pp. 2187
    • Schäfer, A.1    Klamt, A.2    Sattel, D.3    Lohrenz, J.C.W.4    Eckert, F.5
  • 68
    • 0005779446 scopus 로고
    • The crystal structure of methylene blue pentahydrate
    • H. E. Marr J. M. Stewart The crystal structure of methylene blue pentahydrate Acta Cryst. 1973 B29 847
    • (1973) Acta Cryst. , vol.29 , pp. 847
    • Marr, H.E.1    Stewart, J.M.2
  • 69
    • 51749091946 scopus 로고    scopus 로고
    • Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction
    • M. R. Silva-Junior M. Schreiber S. P. A. Sauer W. Thiel Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction J. Chem. Phys. 2008 129 104103
    • (2008) J. Chem. Phys. , vol.129 , pp. 104103
    • Silva-Junior, M.R.1    Schreiber, M.2    Sauer, S.P.A.3    Thiel, W.4
  • 70
    • 84944157326 scopus 로고
    • Bestimmung der Energie des Thionintripletts durch Triplett-Triplett- Energieübertragung
    • H. E. A. Kramer M. Hafner M. Zügel Bestimmung der Energie des Thionintripletts durch Triplett-Triplett-Energieübertragung Z. Phys. Chem. 1969 65 276
    • (1969) Z. Phys. Chem. , vol.65 , pp. 276
    • Kramer, H.E.A.1    Hafner, M.2    Zügel, M.3
  • 71
    • 84944174935 scopus 로고
    • Bestimmung der Energie des Thionintripletts durch Triplett-Triplett- Energieübertragung
    • H. E. A. Kramer Bestimmung der Energie des Thionintripletts durch Triplett-Triplett-Energieübertragung Z. Phys. Chem. 1969 66 73
    • (1969) Z. Phys. Chem. , vol.66 , pp. 73
    • Kramer, H.E.A.1
  • 72
    • 44649137509 scopus 로고    scopus 로고
    • The photophysics of flavins: What makes the difference between gas phase and aqueous solution?
    • S. Salzmann J. Tatchen C. M. Marian The photophysics of flavins: What makes the difference between gas phase and aqueous solution? J. Photochem. Photobiol., A 2008 198 221
    • (2008) J. Photochem. Photobiol., A , vol.198 , pp. 221
    • Salzmann, S.1    Tatchen, J.2    Marian, C.M.3
  • 73
    • 33744949793 scopus 로고    scopus 로고
    • Vibronic absorption, fluorescence, and phosphorescence spectra of psoralen: A quantum chemical investigation
    • J. Tatchen C. M. Marian Vibronic absorption, fluorescence, and phosphorescence spectra of psoralen: a quantum chemical investigation Phys. Chem. Chem. Phys. 2006 8 2133
    • (2006) Phys. Chem. Chem. Phys. , vol.8 , pp. 2133
    • Tatchen, J.1    Marian, C.M.2
  • 74
    • 25844448817 scopus 로고    scopus 로고
    • Quantum chemical investigation of the electronic spectra of the keto, enol, and keto-imine tautomers of cytosine
    • K. Tomić J. Tatchen C. M. Marian Quantum chemical investigation of the electronic spectra of the keto, enol, and keto-imine tautomers of cytosine J. Phys. Chem. A 2005 109 8410
    • (2005) J. Phys. Chem. A , vol.109 , pp. 8410
    • Tomić, K.1    Tatchen, J.2    Marian, C.M.3
  • 75
    • 33947332584 scopus 로고
    • The triplet state and molecular electronic processes in organic molecules
    • S. K. Lower M. A. El-Sayed The triplet state and molecular electronic processes in organic molecules Chem. Rev. 1966 66 199
    • (1966) Chem. Rev. , vol.66 , pp. 199
    • Lower, S.K.1    El-Sayed, M.A.2
  • 76
    • 34848879461 scopus 로고    scopus 로고
    • Intersystem crossing driven by vibronic spin-orbit coupling: A case study on psoralen
    • J. Tatchen N. Gilka C. M. Marian Intersystem crossing driven by vibronic spin-orbit coupling: a case study on psoralen Phys. Chem. Chem. Phys. 2007 9 5209
    • (2007) Phys. Chem. Chem. Phys. , vol.9 , pp. 5209
    • Tatchen, J.1    Gilka, N.2    Marian, C.M.3
  • 77
    • 0037108077 scopus 로고    scopus 로고
    • Theoretical Study of the Hydrogen Bond Interaction between Methylene Blue and Water and Possible Role on Energy Transfer for Photodynamics
    • A. Dias Quintão K. Coutinho S. Canuto Theoretical Study of the Hydrogen Bond Interaction Between Methylene Blue and Water and Possible Role on Energy Transfer for Photodynamics Int. J. Quantum Chem. 2002 90 634
    • (2002) Int. J. Quantum Chem. , vol.90 , pp. 634
    • Dias Quintão, A.1    Coutinho, K.2    Canuto, S.3


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