메뉴 건너뛰기




Volumn 210, Issue 1, 2010, Pages 77-81

Time-dependent density functional theory study of the excited-state dihydrogen bond O-H⋯H-Si

Author keywords

Dihydrogen bond; Electronically excited state; Infrared spectra; Time dependent density functional theory

Indexed keywords


EID: 75349087443     PISSN: 10106030     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jphotochem.2009.12.001     Document Type: Article
Times cited : (18)

References (64)
  • 2
    • 58049208151 scopus 로고    scopus 로고
    • Revisiting the electronic excited-state hydrogen bonding dynamics of coumarin chromophore in alcohols: undoubtedly strengthened not cleaved
    • Liu Y., Ding J., Liu R., Shi D., and Sun J. Revisiting the electronic excited-state hydrogen bonding dynamics of coumarin chromophore in alcohols: undoubtedly strengthened not cleaved. J. Photochem. Photobiol. A: Chem. 201 (2009) 203-207
    • (2009) J. Photochem. Photobiol. A: Chem. , vol.201 , pp. 203-207
    • Liu, Y.1    Ding, J.2    Liu, R.3    Shi, D.4    Sun, J.5
  • 3
    • 0038375161 scopus 로고    scopus 로고
    • Weakly bound clusters of biological interest
    • Desfrançois C., Carles S., and Schermann J.P. Weakly bound clusters of biological interest. Chem. Rev. 100 (2000) 3943-3962
    • (2000) Chem. Rev. , vol.100 , pp. 3943-3962
    • Desfrançois, C.1    Carles, S.2    Schermann, J.P.3
  • 5
    • 0037016451 scopus 로고    scopus 로고
    • The hydrogen bond in the solid state
    • Steiner T. The hydrogen bond in the solid state. Angew. Chem. Int. Ed. 41 (2002) 48-76
    • (2002) Angew. Chem. Int. Ed. , vol.41 , pp. 48-76
    • Steiner, T.1
  • 6
    • 39149118903 scopus 로고    scopus 로고
    • Dynamic simulation study on ultrafast excited-state torsional dynamics of 9, 9′-bianthryl (BA) in gas phase: real-time observation of novel oscillation behavior with the torsional coordinate
    • Zhao G.-J., Liu Y.-H., Han K.-L., and Dou Y. Dynamic simulation study on ultrafast excited-state torsional dynamics of 9, 9′-bianthryl (BA) in gas phase: real-time observation of novel oscillation behavior with the torsional coordinate. Chem. Phys. Lett. 453 (2008) 29-34
    • (2008) Chem. Phys. Lett. , vol.453 , pp. 29-34
    • Zhao, G.-J.1    Liu, Y.-H.2    Han, K.-L.3    Dou, Y.4
  • 7
    • 10844252211 scopus 로고    scopus 로고
    • 1(ππ*) excited state of anthranilic acid and salicylic acid: TDDFT calculation of excited-state geometries and infrared spectra
    • 1(ππ*) excited state of anthranilic acid and salicylic acid: TDDFT calculation of excited-state geometries and infrared spectra. J. Phys. Chem. A 108 (2004) 10917-10922
    • (2004) J. Phys. Chem. A , vol.108 , pp. 10917-10922
    • Sobolewski, A.L.1    Domcke, W.2
  • 8
    • 63649120270 scopus 로고    scopus 로고
    • A probabilistic approach to the effect of hydrogen bonding on the hydrophobic attraction
    • Djikaeva Y.S., and Ruckenstein E. A probabilistic approach to the effect of hydrogen bonding on the hydrophobic attraction. J. Chem. Phys. 130 (2009) 124713
    • (2009) J. Chem. Phys. , vol.130 , pp. 124713
    • Djikaeva, Y.S.1    Ruckenstein, E.2
  • 9
    • 34548498342 scopus 로고    scopus 로고
    • Ultrafast excited-state dynamics of tetraphenylethylene (TPE) studied by semiclassical simulation
    • Zhao G.-J., Han K.-L., Lei Y.-B., and Dou Y. Ultrafast excited-state dynamics of tetraphenylethylene (TPE) studied by semiclassical simulation. J. Chem. Phys. 127 (2007) 094307
    • (2007) J. Chem. Phys. , vol.127 , pp. 094307
    • Zhao, G.-J.1    Han, K.-L.2    Lei, Y.-B.3    Dou, Y.4
  • 10
    • 33746915664 scopus 로고    scopus 로고
    • Role of electron-driven proton-transfer processes in the excited-state deactivation of the adenine-thymine base pair
    • Perun S., Sobolewski A.L., and Domcke W. Role of electron-driven proton-transfer processes in the excited-state deactivation of the adenine-thymine base pair. J. Phys. Chem. A 110 (2006) 9031-9038
    • (2006) J. Phys. Chem. A , vol.110 , pp. 9031-9038
    • Perun, S.1    Sobolewski, A.L.2    Domcke, W.3
  • 11
    • 34247525537 scopus 로고    scopus 로고
    • Early time hydrogen-bonding dynamics of photoexcited coumarin 102 in hydrogen-donating solvents: theoretical study
    • Zhao G.-J., and Han K.-L. Early time hydrogen-bonding dynamics of photoexcited coumarin 102 in hydrogen-donating solvents: theoretical study. J. Phys. Chem. A 111 (2007) 2469-2474
    • (2007) J. Phys. Chem. A , vol.111 , pp. 2469-2474
    • Zhao, G.-J.1    Han, K.-L.2
  • 12
    • 35148865333 scopus 로고    scopus 로고
    • Ultrafast hydrogen bond strengthening of the photoexcited fluorenone in alcohols for facilitating the fluorescence quenching
    • Zhao G.-J., and Han K.-L. Ultrafast hydrogen bond strengthening of the photoexcited fluorenone in alcohols for facilitating the fluorescence quenching. J. Phys. Chem. A 111 (2007) 9218-9223
    • (2007) J. Phys. Chem. A , vol.111 , pp. 9218-9223
    • Zhao, G.-J.1    Han, K.-L.2
  • 13
    • 34548206307 scopus 로고    scopus 로고
    • Site-selective photoinduced electron transfer from alcoholic solvents to the chromophore facilitated by hydrogen bonding: a new fluorescence quenching mechanism
    • Zhao G.-J., Liu J.-Y., Zhou L.-C., and Han K.-L. Site-selective photoinduced electron transfer from alcoholic solvents to the chromophore facilitated by hydrogen bonding: a new fluorescence quenching mechanism. J. Phys. Chem. B 111 (2007) 88940-88945
    • (2007) J. Phys. Chem. B , vol.111 , pp. 88940-88945
    • Zhao, G.-J.1    Liu, J.-Y.2    Zhou, L.-C.3    Han, K.-L.4
  • 14
    • 37749035607 scopus 로고    scopus 로고
    • Site-specific solvation of the photoexcited protochlorophyllide a in methanol: formation of the hydrogen-bonded intermediate state induced by hydrogen bond strengthening
    • Zhao G.-J., and Han K.-L. Site-specific solvation of the photoexcited protochlorophyllide a in methanol: formation of the hydrogen-bonded intermediate state induced by hydrogen bond strengthening. Biophys. J. 94 (2008) 38-46
    • (2008) Biophys. J. , vol.94 , pp. 38-46
    • Zhao, G.-J.1    Han, K.-L.2
  • 15
    • 47549101225 scopus 로고    scopus 로고
    • Time-dependent density functional theory (tddft) study on the hydrogen-bonded intramolecular charge-transfer excited state of 4-dimethylamino-benzonitrile (DMABN) in methanol
    • Zhao G.-J., and Han K.-L. Time-dependent density functional theory (tddft) study on the hydrogen-bonded intramolecular charge-transfer excited state of 4-dimethylamino-benzonitrile (DMABN) in methanol. J. Comput. Chem. 29 (2008) 2010-2017
    • (2008) J. Comput. Chem. , vol.29 , pp. 2010-2017
    • Zhao, G.-J.1    Han, K.-L.2
  • 16
    • 53049088573 scopus 로고    scopus 로고
    • Effects of hydrogen bonding on tuning photochemistry: concerted hydrogen bond strengthening and weakening
    • Zhao G.-J., and Han K.-L. Effects of hydrogen bonding on tuning photochemistry: concerted hydrogen bond strengthening and weakening. Chemphyschem 9 (2008) 1842-1846
    • (2008) Chemphyschem , vol.9 , pp. 1842-1846
    • Zhao, G.-J.1    Han, K.-L.2
  • 17
    • 53049091514 scopus 로고    scopus 로고
    • Photoinduced intramolecular charge transfer in thiophene-π-conjugated donor-acceptor systems: combined experimental and TDDFT studies
    • Zhao G.-J., Chen R.-K., Sun M.-T., Li G.-Y., Liu J.-Y., Gao Y.-L., Han K.-L., Yang X.-C., and Sun L.-C. Photoinduced intramolecular charge transfer in thiophene-π-conjugated donor-acceptor systems: combined experimental and TDDFT studies. Chem. Eur. J. 14 (2008) 6935-6947
    • (2008) Chem. Eur. J. , vol.14 , pp. 6935-6947
    • Zhao, G.-J.1    Chen, R.-K.2    Sun, M.-T.3    Li, G.-Y.4    Liu, J.-Y.5    Gao, Y.-L.6    Han, K.-L.7    Yang, X.-C.8    Sun, L.-C.9
  • 18
    • 55449109413 scopus 로고    scopus 로고
    • Vibrational analysis of trans-stilbene in the excited singlet state by time-dependent density functional theory: calculations of the Raman, infrared, and fluorescence excitation spectra
    • Tsumura K., Furuya K., Sakamoto A., and Tasumi M. Vibrational analysis of trans-stilbene in the excited singlet state by time-dependent density functional theory: calculations of the Raman, infrared, and fluorescence excitation spectra. J. Raman Spectrosc. 39 (2008) 1584-1591
    • (2008) J. Raman Spectrosc. , vol.39 , pp. 1584-1591
    • Tsumura, K.1    Furuya, K.2    Sakamoto, A.3    Tasumi, M.4
  • 19
    • 65749104276 scopus 로고    scopus 로고
    • Excited-state electronic structures and photochemistry of heterocyclic annulated perylenes (HAPs) materials tuned by heteroatoms: S, Se, N, O, C, Si, and B
    • Zhao G.-J., and Han K.-L. Excited-state electronic structures and photochemistry of heterocyclic annulated perylenes (HAPs) materials tuned by heteroatoms: S, Se, N, O, C, Si, and B. J. Phys. Chem. A 113 (2009) 4788-4794
    • (2009) J. Phys. Chem. A , vol.113 , pp. 4788-4794
    • Zhao, G.-J.1    Han, K.-L.2
  • 20
    • 65949084020 scopus 로고    scopus 로고
    • Excited-state double proton transfer (ESDPT) in 2-aminopyridine/acid systems: role of the intermolecular hydrogen bonding in excited states
    • Chai S., Zhao G.-J., Song P., Yang S.-Q., Liu J.-Y., and Han K.-L. Excited-state double proton transfer (ESDPT) in 2-aminopyridine/acid systems: role of the intermolecular hydrogen bonding in excited states. Phys. Chem. Chem. Phys. 11 (2009) 4385-4390
    • (2009) Phys. Chem. Chem. Phys. , vol.11 , pp. 4385-4390
    • Chai, S.1    Zhao, G.-J.2    Song, P.3    Yang, S.-Q.4    Liu, J.-Y.5    Han, K.-L.6
  • 21
    • 73949091599 scopus 로고    scopus 로고
    • Role of intramolecular and intermolecular hydrogen bonding in both singlet and triplet excited states of aminofluorenones on internal conversion, intersystem crossing, and twisted intramolecular charge transfer
    • 10.1021/jp903200x
    • Zhao G.-J., and Han K.-L. Role of intramolecular and intermolecular hydrogen bonding in both singlet and triplet excited states of aminofluorenones on internal conversion, intersystem crossing, and twisted intramolecular charge transfer. J. Phys. Chem. A (2009) 10.1021/jp903200x
    • (2009) J. Phys. Chem. A
    • Zhao, G.-J.1    Han, K.-L.2
  • 22
    • 73949151076 scopus 로고    scopus 로고
    • Chapter 5: hydrogen bonding effects on the photochemistry of chromophores in solution
    • Sánchez A., and Gutierrez S.J. (Eds), Nova Science Publishers, Inc., New York ISBN: 978-1-60456-568-3
    • Zhao G.-J., and Han K.-L. Chapter 5: hydrogen bonding effects on the photochemistry of chromophores in solution. In: Sánchez A., and Gutierrez S.J. (Eds). Photochemistry Research Progress (2008), Nova Science Publishers, Inc., New York 161-190 ISBN: 978-1-60456-568-3
    • (2008) Photochemistry Research Progress , pp. 161-190
    • Zhao, G.-J.1    Han, K.-L.2
  • 24
    • 0000595892 scopus 로고    scopus 로고
    • Autoionization-detected infrared spectroscopy of intramolecular hydrogen bonds in aromatic cations. II. Unconventional intramolecular hydrogen bonds
    • Fujimaki E., Fujii A., Ebata T., and Mikami N. Autoionization-detected infrared spectroscopy of intramolecular hydrogen bonds in aromatic cations. II. Unconventional intramolecular hydrogen bonds. J. Chem. Phys. 112 (2000) 137-148
    • (2000) J. Chem. Phys. , vol.112 , pp. 137-148
    • Fujimaki, E.1    Fujii, A.2    Ebata, T.3    Mikami, N.4
  • 25
    • 0036729739 scopus 로고    scopus 로고
    • New types of hydrogen bonding in organometallic chemistry
    • Epstein L.M., and Shubina E.S. New types of hydrogen bonding in organometallic chemistry. Coord. Chem. Rev. 231 (2002) 165-181
    • (2002) Coord. Chem. Rev. , vol.231 , pp. 165-181
    • Epstein, L.M.1    Shubina, E.S.2
  • 26
    • 0035385141 scopus 로고    scopus 로고
    • Dihydrogen bonding: structures, energetics, and dynamics
    • Custelcean R., and Jackson J.E. Dihydrogen bonding: structures, energetics, and dynamics. Chem. Rev. 101 (2001) 1963-1980
    • (2001) Chem. Rev. , vol.101 , pp. 1963-1980
    • Custelcean, R.1    Jackson, J.E.2
  • 27
    • 33745043523 scopus 로고    scopus 로고
    • The time-dependent quantum wave packet approach to the electronically nonadiabatic processes in chemical reactions
    • Chu T.-S., Zhang Y., and Han K.-L. The time-dependent quantum wave packet approach to the electronically nonadiabatic processes in chemical reactions. Int. Rev. Phys. Chem. 25 (2006) 201-235
    • (2006) Int. Rev. Phys. Chem. , vol.25 , pp. 201-235
    • Chu, T.-S.1    Zhang, Y.2    Han, K.-L.3
  • 29
    • 0038476327 scopus 로고    scopus 로고
    • Hydrogen-hydrogen bonding: a stabilizing interaction in molecules and crystals
    • Matta C.F., Hernández-Trujillo J., Tang T.-H., and Bader R.F.W. Hydrogen-hydrogen bonding: a stabilizing interaction in molecules and crystals. Chem. Eur. J. 9 (2003) 1940-1951
    • (2003) Chem. Eur. J. , vol.9 , pp. 1940-1951
    • Matta, C.F.1    Hernández-Trujillo, J.2    Tang, T.-H.3    Bader, R.F.W.4
  • 30
    • 3142742514 scopus 로고    scopus 로고
    • Quest for IR-pumped reactions in dihydrogen-bonded complexes
    • Marincean S., and Jackson J.E. Quest for IR-pumped reactions in dihydrogen-bonded complexes. J. Phys. Chem. A 108 (2004) 5521-5526
    • (2004) J. Phys. Chem. A , vol.108 , pp. 5521-5526
    • Marincean, S.1    Jackson, J.E.2
  • 31
  • 32
    • 33646728601 scopus 로고    scopus 로고
    • Interaction of carboranes with biomolecules: formation of dihydrogen bonds
    • Fanfrlífk J., Lepšik M., Horinek D., Havlas Z., and Hobza P. Interaction of carboranes with biomolecules: formation of dihydrogen bonds. Chemphyschem 7 (2006) 1100-1105
    • (2006) Chemphyschem , vol.7 , pp. 1100-1105
    • Fanfrlífk, J.1    Lepšik, M.2    Horinek, D.3    Havlas, Z.4    Hobza, P.5
  • 34
    • 0000519041 scopus 로고    scopus 로고
    • Effect of location of energy barrier on the product alignment of reaction A + BC
    • Han K.-L., He G.-Z., and Lou N.-Q. Effect of location of energy barrier on the product alignment of reaction A + BC. J. Chem. Phys. 105 (1996) 8699-8704
    • (1996) J. Chem. Phys. , vol.105 , pp. 8699-8704
    • Han, K.-L.1    He, G.-Z.2    Lou, N.-Q.3
  • 37
    • 0001472637 scopus 로고    scopus 로고
    • Infrared spectroscopy of hydrogen-bonded phenol-amine clusters in supersonic jets
    • Iwasaki A., Fujii A., Watanabe T., Ebata T., and Mikami N. Infrared spectroscopy of hydrogen-bonded phenol-amine clusters in supersonic jets. J. Phys. Chem. 100 (1996) 16053-16057
    • (1996) J. Phys. Chem. , vol.100 , pp. 16053-16057
    • Iwasaki, A.1    Fujii, A.2    Watanabe, T.3    Ebata, T.4    Mikami, N.5
  • 38
    • 0008978734 scopus 로고    scopus 로고
    • Evidence of a dihydrogen bond in gas phase: phenol-borane-dimethylamine complex
    • Naresh Patwari G., Ebata T., and Mikami N. Evidence of a dihydrogen bond in gas phase: phenol-borane-dimethylamine complex. J. Chem. Phys. 113 (2000) 9885-9888
    • (2000) J. Chem. Phys. , vol.113 , pp. 9885-9888
    • Naresh Patwari, G.1    Ebata, T.2    Mikami, N.3
  • 39
    • 0035932886 scopus 로고    scopus 로고
    • Gas phase dihydrogen bonded phenol-borane-trimethylamine complex
    • Naresh Patwari G., Ebata T., and Mikami N. Gas phase dihydrogen bonded phenol-borane-trimethylamine complex. J. Chem. Phys. 114 (2001) 8877-8879
    • (2001) J. Chem. Phys. , vol.114 , pp. 8877-8879
    • Naresh Patwari, G.1    Ebata, T.2    Mikami, N.3
  • 40
    • 0037041736 scopus 로고    scopus 로고
    • Dihydrogen bonded phenol-borane-dimethylamine complex: an experimental and theoretical study
    • Naresh Patwari G., Ebata T., and Mikami N. Dihydrogen bonded phenol-borane-dimethylamine complex: an experimental and theoretical study. J. Chem. Phys. 116 (2002) 6056-6063
    • (2002) J. Chem. Phys. , vol.116 , pp. 6056-6063
    • Naresh Patwari, G.1    Ebata, T.2    Mikami, N.3
  • 41
    • 0035819235 scopus 로고    scopus 로고
    • Dehydrogenation reaction from a dihydrogen bonded precursor complex in the gas phase
    • Naresh Patwari G., Ebata T., and Mikami N. Dehydrogenation reaction from a dihydrogen bonded precursor complex in the gas phase. J. Phys. Chem. A 105 (2001) 10753-10758
    • (2001) J. Phys. Chem. A , vol.105 , pp. 10753-10758
    • Naresh Patwari, G.1    Ebata, T.2    Mikami, N.3
  • 42
    • 0036786449 scopus 로고    scopus 로고
    • Gas phase dihydrogen bonding: clusters of borane-amines with phenol and aniline
    • Naresh Patwari G., Ebata T., and Mikami N. Gas phase dihydrogen bonding: clusters of borane-amines with phenol and aniline. Chem. Phys. 283 (2002) 193-207
    • (2002) Chem. Phys. , vol.283 , pp. 193-207
    • Naresh Patwari, G.1    Ebata, T.2    Mikami, N.3
  • 43
    • 15944425322 scopus 로고    scopus 로고
    • Proton affinities of borane-amines: consequences on dihydrogen bonding
    • Naresh Patwari G. Proton affinities of borane-amines: consequences on dihydrogen bonding. J. Phys. Chem. A 109 (2005) 2035-2038
    • (2005) J. Phys. Chem. A , vol.109 , pp. 2035-2038
    • Naresh Patwari, G.1
  • 44
    • 33745628843 scopus 로고    scopus 로고
    • Complete infrared spectroscopic characterization of phenol-borane-trimethylamine dihydrogen-bonded complex in the gas phase
    • Naresh Patwari G., Fujii A., and Mikami N. Complete infrared spectroscopic characterization of phenol-borane-trimethylamine dihydrogen-bonded complex in the gas phase. J. Chem. Phys. 124 (2006) 241103
    • (2006) J. Chem. Phys. , vol.124 , pp. 241103
    • Naresh Patwari, G.1    Fujii, A.2    Mikami, N.3
  • 45
    • 0037136806 scopus 로고    scopus 로고
    • 2) clusters in the neutral and cationic ground states
    • 2) clusters in the neutral and cationic ground states. J. Phys. Chem. A 106 (2002) 8554-8560
    • (2002) J. Phys. Chem. A , vol.106 , pp. 8554-8560
    • Fujii, A.1    Ebata, T.2    Mikami, N.3
  • 46
    • 42449135012 scopus 로고    scopus 로고
    • Calculations of dihydrogen binding to doped carbon nanostructures
    • Sagara T., and Ganz E. Calculations of dihydrogen binding to doped carbon nanostructures. J. Phys. Chem. C 112 (2008) 3515-3518
    • (2008) J. Phys. Chem. C , vol.112 , pp. 3515-3518
    • Sagara, T.1    Ganz, E.2
  • 47
    • 33751561985 scopus 로고    scopus 로고
    • First observation of a dihydrogen bond involving the Si-H group in phenol-diethylmethylsilane clusters by infrared-ultraviolet double-resonance spectroscopy
    • Ishikawa H., Saito A., Sugiyama M., and Mikami N. First observation of a dihydrogen bond involving the Si-H group in phenol-diethylmethylsilane clusters by infrared-ultraviolet double-resonance spectroscopy. J. Chem. Phys. 123 (2005) 224309
    • (2005) J. Chem. Phys. , vol.123 , pp. 224309
    • Ishikawa, H.1    Saito, A.2    Sugiyama, M.3    Mikami, N.4
  • 48
    • 34548548742 scopus 로고    scopus 로고
    • Some ruthenium hydride, dihydrogen, and dihydrogen-bonded complexes in catalytic reactions
    • Lau C.P., Ng S.M., Jia G.-C., and Lin Z.-Y. Some ruthenium hydride, dihydrogen, and dihydrogen-bonded complexes in catalytic reactions. Coord. Chem. Rev. 251 (2007) 2223-2237
    • (2007) Coord. Chem. Rev. , vol.251 , pp. 2223-2237
    • Lau, C.P.1    Ng, S.M.2    Jia, G.-C.3    Lin, Z.-Y.4
  • 49
    • 34547188631 scopus 로고    scopus 로고
    • Novel infrared spectra for intermolecular dihydrogen bonding of the phenol-borane-trimethylamine complex in electronically excited state
    • Zhao G.-J., and Han K.-L. Novel infrared spectra for intermolecular dihydrogen bonding of the phenol-borane-trimethylamine complex in electronically excited state. J. Chem. Phys. 127 (2007) 024306
    • (2007) J. Chem. Phys. , vol.127 , pp. 024306
    • Zhao, G.-J.1    Han, K.-L.2
  • 50
    • 41649095276 scopus 로고    scopus 로고
    • How to determine whether intramolecular H⋯H Interactions can be classified as dihydrogen bonds
    • Alkorta I., Elguero J., and Grabowski S.J. How to determine whether intramolecular H⋯H Interactions can be classified as dihydrogen bonds. J. Phys. Chem. A 112 (2008) 2721-2727
    • (2008) J. Phys. Chem. A , vol.112 , pp. 2721-2727
    • Alkorta, I.1    Elguero, J.2    Grabowski, S.J.3
  • 51
    • 47949102565 scopus 로고    scopus 로고
    • Multi-centre, hydrogen and dihydrogen bonds in lithium closo-hydroborate obtained from liquid ammonia
    • Panda M., Hofmann K., Prosenc M.H., and Albert B. Multi-centre, hydrogen and dihydrogen bonds in lithium closo-hydroborate obtained from liquid ammonia. Dalton Trans. (2008) 3956-3958
    • (2008) Dalton Trans. , pp. 3956-3958
    • Panda, M.1    Hofmann, K.2    Prosenc, M.H.3    Albert, B.4
  • 52
    • 0037159393 scopus 로고    scopus 로고
    • Adiabatic time-dependent density functional methods for excited state properties
    • Furche F., and Ahlrichs R. Adiabatic time-dependent density functional methods for excited state properties. J. Chem. Phys. 117 (2002) 7433-7447
    • (2002) J. Chem. Phys. , vol.117 , pp. 7433-7447
    • Furche, F.1    Ahlrichs, R.2
  • 53
    • 36849099978 scopus 로고
    • Coulombic potential energy integrals and approximations
    • Whitten J.L. Coulombic potential energy integrals and approximations. J. Chem. Phys. 58 (1973) 4496-4501
    • (1973) J. Chem. Phys. , vol.58 , pp. 4496-4501
    • Whitten, J.L.1
  • 55
  • 56
    • 0039209924 scopus 로고
    • Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
    • Schäfer A., Huber C., and Ahlrichs R. Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr. J. Chem. Phys. 100 (1994) 5829-5835
    • (1994) J. Chem. Phys. , vol.100 , pp. 5829-5835
    • Schäfer, A.1    Huber, C.2    Ahlrichs, R.3
  • 57
    • 4243539377 scopus 로고
    • Electronic structure calculations on workstation computers: the program system turbomole
    • Ahlrichs R., Bär M., Horn H., and Kölmel C. Electronic structure calculations on workstation computers: the program system turbomole. Chem. Phys. Lett. 162 (1989) 165-169
    • (1989) Chem. Phys. Lett. , vol.162 , pp. 165-169
    • Ahlrichs, R.1    Bär, M.2    Horn, H.3    Kölmel, C.4
  • 58
    • 17744378377 scopus 로고    scopus 로고
    • Photoinduced charge generation and recombination dynamics in model donor/acceptor pairs for organic solar cell applications: a full quantum-chemical treatment
    • Lemaur V., Steel M., Beljonne D., Brédas J.-L., and Cornil J. Photoinduced charge generation and recombination dynamics in model donor/acceptor pairs for organic solar cell applications: a full quantum-chemical treatment. J. Am. Chem. Soc. 127 (2005) 6077-6086
    • (2005) J. Am. Chem. Soc. , vol.127 , pp. 6077-6086
    • Lemaur, V.1    Steel, M.2    Beljonne, D.3    Brédas, J.-L.4    Cornil, J.5
  • 59
    • 33947286089 scopus 로고    scopus 로고
    • The charge transfer mechanism and spectral properties of a near-infrared heptamethine cyanine dye in alcoholic and aprotic solvents
    • Zhou L.-C., Zhao G.-J., Liu J.-F., Han K.-L., Wu Y.-K., Peng X.-J., and Sun M.-T. The charge transfer mechanism and spectral properties of a near-infrared heptamethine cyanine dye in alcoholic and aprotic solvents. J. Photochem. Photobiol. A: Chem. 187 (2007) 305-310
    • (2007) J. Photochem. Photobiol. A: Chem. , vol.187 , pp. 305-310
    • Zhou, L.-C.1    Zhao, G.-J.2    Liu, J.-F.3    Han, K.-L.4    Wu, Y.-K.5    Peng, X.-J.6    Sun, M.-T.7
  • 60
    • 33947263579 scopus 로고    scopus 로고
    • The ultrafast dynamics of near-infrared heptamethine cyanine dye in alcoholic and aprotic solvents
    • Zhou L.-C., Liu J.-Y., Zhao G.-J., Shi Y., Peng X.-J., and Han K.-L. The ultrafast dynamics of near-infrared heptamethine cyanine dye in alcoholic and aprotic solvents. Chem. Phys. 333 (2007) 179-185
    • (2007) Chem. Phys. , vol.333 , pp. 179-185
    • Zhou, L.-C.1    Liu, J.-Y.2    Zhao, G.-J.3    Shi, Y.4    Peng, X.-J.5    Han, K.-L.6
  • 61
    • 34547598488 scopus 로고    scopus 로고
    • Photoabsorption of green and red fluorescent protein chromophore anions in vacuo
    • Wan S.-B., Liu S.-S., Zhao G.-J., Chen M.-D., Han K.-L., and Sun M.-T. Photoabsorption of green and red fluorescent protein chromophore anions in vacuo. Biophys. Chem. 129 (2007) 218-223
    • (2007) Biophys. Chem. , vol.129 , pp. 218-223
    • Wan, S.-B.1    Liu, S.-S.2    Zhao, G.-J.3    Chen, M.-D.4    Han, K.-L.5    Sun, M.-T.6
  • 63
    • 33751290766 scopus 로고    scopus 로고
    • Trans-cis photoisomerization of a photoactive yellow protein model chromophore in crystalline phase
    • Usman A., Masuhara H., and Asahi T. Trans-cis photoisomerization of a photoactive yellow protein model chromophore in crystalline phase. J. Phys. Chem. B 110 (2006) 20085-20088
    • (2006) J. Phys. Chem. B , vol.110 , pp. 20085-20088
    • Usman, A.1    Masuhara, H.2    Asahi, T.3
  • 64
    • 33144490064 scopus 로고    scopus 로고
    • Temperature dependence of ultrafast photoinduced ring-opening and -closure reactions of spironaphthooxazine in crystalline phase
    • Suzuki M., Asahi T., and Masuhara H. Temperature dependence of ultrafast photoinduced ring-opening and -closure reactions of spironaphthooxazine in crystalline phase. J. Photochem. Photobiol. A: Chem. 178 (2006) 170-176
    • (2006) J. Photochem. Photobiol. A: Chem. , vol.178 , pp. 170-176
    • Suzuki, M.1    Asahi, T.2    Masuhara, H.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.