메뉴 건너뛰기




Volumn 110, Issue 39, 2013, Pages 15597-15601

Watching energy transfer in metalloporphyrin heterodimers using stimulated X-ray Raman spectroscopy

Author keywords

Chromophore aggregates; Core transitions; Nonlinear; REW TDDFT

Indexed keywords

HETERODIMER; METALLOPORPHYRIN; NICKEL; ZINC;

EID: 84884620926     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1308604110     Document Type: Article
Times cited : (51)

References (58)
  • 1
    • 34249695991 scopus 로고    scopus 로고
    • Cyclic porphyrin arrays as artificial photosynthetic antenna: Synthesis and excitation energy transfer
    • Nakamura Y, Aratani N, Osuka A (2007) Cyclic porphyrin arrays as artificial photosynthetic antenna: Synthesis and excitation energy transfer. Chem Soc Rev 36(6): 831-845.
    • (2007) Chem Soc Rev , vol.36 , Issue.6 , pp. 831-845
    • Nakamura, Y.1    Aratani, N.2    Osuka, A.3
  • 2
    • 84862837857 scopus 로고    scopus 로고
    • Excitation energy transfer in multiporphyrin arrays with cyclic architectures: Towards artificial light-harvesting antenna complexes
    • Yang J, Yoon MC, Yoo H, Kim P, Kim D (2012) Excitation energy transfer in multiporphyrin arrays with cyclic architectures: Towards artificial light-harvesting antenna complexes. Chem Soc Rev 41(14):4808-4826.
    • (2012) Chem Soc Rev , vol.41 , Issue.14 , pp. 4808-4826
    • Yang, J.1    Yoon, M.C.2    Yoo, H.3    Kim, P.4    Kim, D.5
  • 3
    • 84866344483 scopus 로고    scopus 로고
    • Porphyrins in bio-inspired transformations: Light-harvesting to solar cell
    • Panda MK, Ladomenou K, Coutsolelos AG (2012) Porphyrins in bio-inspired transformations: Light-harvesting to solar cell. Coord Chem Rev 256(21-22):2601-2627.
    • (2012) Coord Chem Rev , vol.256 , Issue.21-22 , pp. 2601-2627
    • Panda, M.K.1    Ladomenou, K.2    Coutsolelos, A.G.3
  • 4
    • 84870512307 scopus 로고    scopus 로고
    • Porphyrin-sensitized solar cells
    • Li LL, Diau EWG (2013) Porphyrin-sensitized solar cells. Chem Soc Rev 42(1):291-304.
    • (2013) Chem Soc Rev , vol.42 , Issue.1 , pp. 291-304
    • Li, L.L.1    Diau, E.W.G.2
  • 5
    • 84856826699 scopus 로고    scopus 로고
    • Porphyrin-functionalized single-walled carbon nanotube chemiresistive sensor arrays for vocs
    • Shirsat MD, et al. (2012) Porphyrin-functionalized single-walled carbon nanotube chemiresistive sensor arrays for vocs. J Phys Chem C 116(5):3845-3850.
    • (2012) J Phys Chem C , vol.116 , Issue.5 , pp. 3845-3850
    • Shirsat, M.D.1
  • 6
    • 78650356299 scopus 로고    scopus 로고
    • The role of porphyrin chemistry in tumor imaging and photodynamic therapy
    • Ethirajan M, Chen Y, Joshi P, Pandey RK (2011) The role of porphyrin chemistry in tumor imaging and photodynamic therapy. Chem Soc Rev 40(1):340-362.
    • (2011) Chem Soc Rev , vol.40 , Issue.1 , pp. 340-362
    • Ethirajan, M.1    Chen, Y.2    Joshi, P.3    Pandey, R.K.4
  • 7
    • 79952261731 scopus 로고    scopus 로고
    • The roles of molecular structure and effective optical symmetry in evolving dipolar chromophoric building blocks to potent octopolar nonlinear optical chromophores
    • Ishizuka T, et al. (2011) The roles of molecular structure and effective optical symmetry in evolving dipolar chromophoric building blocks to potent octopolar nonlinear optical chromophores. J Am Chem Soc 133(9):2884-2896.
    • (2011) J Am Chem Soc , vol.133 , Issue.9 , pp. 2884-2896
    • Ishizuka, T.1
  • 8
    • 84860544013 scopus 로고    scopus 로고
    • Design of coupled porphyrin chromophores with unusually large hyperpolarizabilities
    • Jiang N, et al. (2012) Design of coupled porphyrin chromophores with unusually large hyperpolarizabilities. J Phys Chem C 116(17):9724-9733.
    • (2012) J Phys Chem C , vol.116 , Issue.17 , pp. 9724-9733
    • Jiang, N.1
  • 9
    • 35349005334 scopus 로고    scopus 로고
    • Nonlinear optical properties of porphyrins
    • Senge MO, et al. (2007) Nonlinear optical properties of porphyrins. Adv Mater 19(19): 2737-2774.
    • (2007) Adv Mater , vol.19 , Issue.19 , pp. 2737-2774
    • Senge, M.O.1
  • 10
    • 77955472034 scopus 로고    scopus 로고
    • Porphyrins as molecular electronic components of functional devices
    • Jurow M, Schuckman AE, Batteas JD, Drain CM (2010) Porphyrins as molecular electronic components of functional devices. Coord Chem Rev 254(19-20):2297-2310.
    • (2010) Coord Chem Rev , vol.254 , Issue.19-20 , pp. 2297-2310
    • Jurow, M.1    Schuckman, A.E.2    Batteas, J.D.3    Drain, C.M.4
  • 11
    • 80051723883 scopus 로고    scopus 로고
    • Molecules for charge-based information storage
    • Lindsey JS, Bocian DF (2011) Molecules for charge-based information storage. Acc Chem Res 44(8):638-650.
    • (2011) Acc Chem Res , vol.44 , Issue.8 , pp. 638-650
    • Lindsey, J.S.1    Bocian, D.F.2
  • 12
    • 84869409171 scopus 로고    scopus 로고
    • Photo-and electro-functional self-assembled architectures of porphyrins
    • Hasobe T (2012) Photo-and electro-functional self-assembled architectures of porphyrins. Phys Chem Chem Phys 14(46):15975-15987.
    • (2012) Phys Chem Chem Phys , vol.14 , Issue.46 , pp. 15975-15987
    • Hasobe, T.1
  • 13
    • 79959227450 scopus 로고    scopus 로고
    • Chromium porphyrin arrays as spintronic devices
    • Cho WJ, Cho Y, Min SK, Kim WY, Kim KS (2011) Chromium porphyrin arrays as spintronic devices. J Am Chem Soc 133(24):9364-9369.
    • (2011) J Am Chem Soc , vol.133 , Issue.24 , pp. 9364-9369
    • Cho, W.J.1    Cho, Y.2    Min, S.K.3    Kim, W.Y.4    Kim, K.S.5
  • 14
    • 84865150168 scopus 로고    scopus 로고
    • Magnetic properties of phthalocyaninebased organometallic nanowire
    • Ma Y, Dai Y, Zhang Z, Yu L, Huang B (2012) Magnetic properties of phthalocyaninebased organometallic nanowire. Appl Phys Lett 101(6):062405-(1-4).
    • (2012) Appl Phys Lett , vol.101 , Issue.6 , pp. 0624051-0624054
    • Ma, Y.1    Dai, Y.2    Zhang, Z.3    Yu, L.4    Huang, B.5
  • 15
    • 80755150224 scopus 로고    scopus 로고
    • Toward reliable dft investigations of mn-porphyrins through caspt2/dft comparison
    • Kepenekian M, et al. (2011) Toward reliable dft investigations of mn-porphyrins through caspt2/dft comparison. J Chem Theory Comput 7(11):3532-3539.
    • (2011) J Chem Theory Comput , vol.7 , Issue.11 , pp. 3532-3539
    • Kepenekian, M.1
  • 16
    • 84859909940 scopus 로고    scopus 로고
    • Homo-and heteronuclear meso,meso-(E)-ethene-1,2-diyl-linked diporphyrins: Preparation, x-ray crystal structure, electronic absorption and emission spectra and density functional theory calculations
    • Locos O, Bašic B, McMurtrie JC, Jensen P, Arnold DP (2012) Homo-and heteronuclear meso,meso-(E)-ethene-1,2-diyl-linked diporphyrins: Preparation, x-ray crystal structure, electronic absorption and emission spectra and density functional theory calculations. Chemistry 18(18):5574-5588.
    • (2012) Chemistry , vol.18 , Issue.18 , pp. 5574-5588
    • Locos, O.1    Bašic, B.2    McMurtrie, J.C.3    Jensen, P.4    Arnold, D.P.5
  • 17
    • 80053274443 scopus 로고    scopus 로고
    • Electron delocalization in various triply linked zinc(II) porphyrin arrays: Role of antiaromatic junctions between aromatic porphyrins
    • Cho S, Yoon MC, Kim KS, Kim P, Kim D (2011) Electron delocalization in various triply linked zinc(II) porphyrin arrays: Role of antiaromatic junctions between aromatic porphyrins. Phys Chem Chem Phys 13(36):16175-16181.
    • (2011) Phys Chem Chem Phys , vol.13 , Issue.36 , pp. 16175-16181
    • Cho, S.1    Yoon, M.C.2    Kim, K.S.3    Kim, P.4    Kim, D.5
  • 18
    • 70350381550 scopus 로고    scopus 로고
    • Effect of porphyrin ligands on the regioselective dehydrogenation versus epoxidation of olefins by oxoiron(IV) mimics of cytochrome P450
    • Kumar D, et al. (2009) Effect of porphyrin ligands on the regioselective dehydrogenation versus epoxidation of olefins by oxoiron(IV) mimics of cytochrome P450. J Phys Chem A 113(43):11713-11722.
    • (2009) J Phys Chem A , vol.113 , Issue.43 , pp. 11713-11722
    • Kumar, D.1
  • 19
    • 79951981828 scopus 로고    scopus 로고
    • Multireference and multiconfiguration ab initio methods in heme-related systems: What have we learned so far?
    • Chen H, Lai W, Shaik S (2011) Multireference and multiconfiguration ab initio methods in heme-related systems: What have we learned so far? J Phys ChemB 115 (8) 1727-1742.
    • (2011) J Phys ChemB , vol.115 , Issue.8 , pp. 1727-1742
    • Chen, H.1    Lai, W.2    Shaik, S.3
  • 20
    • 0001011727 scopus 로고    scopus 로고
    • First-principles quantum chemical studies of porphyrins
    • Ghosh A (1998) First-principles quantum chemical studies of porphyrins. Acc Chem Res 31(4):189-198.
    • (1998) Acc Chem Res , vol.31 , Issue.4 , pp. 189-198
    • Ghosh, A.1
  • 21
    • 0036322027 scopus 로고    scopus 로고
    • A dft/tddft interpretation of the ground and excited states of porphyrin and porphyrazine complexes
    • Baerends E, Ricciardi G, Rosa A, van Gisbergen S (2002) A dft/tddft interpretation of the ground and excited states of porphyrin and porphyrazine complexes. Coord Chem Rev 230(1-2):5-27.
    • (2002) Coord Chem Rev , vol.230 , Issue.1-2 , pp. 5-27
    • Baerends, E.1    Ricciardi, G.2    Rosa, A.3    Van Gisbergen, S.4
  • 22
    • 77950867754 scopus 로고    scopus 로고
    • Engineering of the electronic structures of metal-porphyrin tapes and metal-hexaphyrin tapes: A first-principles study
    • Gao G, Kang HS (2010) Engineering of the electronic structures of metal-porphyrin tapes and metal-hexaphyrin tapes: A first-principles study. Chem Phys 369(2-3):66-70.
    • (2010) Chem Phys , vol.369 , Issue.2-3 , pp. 66-70
    • Gao, G.1    Kang, H.S.2
  • 23
    • 84860374355 scopus 로고    scopus 로고
    • Polymeric fused-ring type iron phthalocyanine nanosheet and its derivative ribbons and tubes
    • Li LH, Li JQ, Wu LM (2012) Polymeric fused-ring type iron phthalocyanine nanosheet and its derivative ribbons and tubes. J Phys Chem C 116(16):9235-9242.
    • (2012) J Phys Chem C , vol.116 , Issue.16 , pp. 9235-9242
    • Li, L.H.1    Li, J.Q.2    Wu, L.M.3
  • 25
    • 0037620422 scopus 로고    scopus 로고
    • Excitation energy transport processes of porphyrin monomer, dimer, cyclic trimer, and hexamer probed by ultrafast fluorescence anisotropy decay
    • Cho HS, et al. (2003) Excitation energy transport processes of porphyrin monomer, dimer, cyclic trimer, and hexamer probed by ultrafast fluorescence anisotropy decay. J Am Chem Soc 125(19):5849-5860.
    • (2003) J Am Chem Soc , vol.125 , Issue.19 , pp. 5849-5860
    • Cho, H.S.1
  • 27
    • 77956280553 scopus 로고    scopus 로고
    • First lasing and operation of an angstrom-wavelength freeelectron laser
    • Emma P, et al. (2010) First lasing and operation of an angstrom-wavelength freeelectron laser. Nat Photonics 4(9):641-647.
    • (2010) Nat Photonics , vol.4 , Issue.9 , pp. 641-647
    • Emma, P.1
  • 28
    • 84859882741 scopus 로고    scopus 로고
    • Free-electron lasers: New avenues in molecular physics and photochemistry
    • Ullrich J, Rudenko A, Moshammer R (2012) Free-electron lasers: New avenues in molecular physics and photochemistry. Annu Rev Phys Chem 63:635-660.
    • (2012) Annu Rev Phys Chem , vol.63 , pp. 635-660
    • Ullrich, J.1    Rudenko, A.2    Moshammer, R.3
  • 29
  • 30
    • 84859909865 scopus 로고    scopus 로고
    • Attosecond science: Recent highlights and future trends
    • Gallmann L, Cirelli C, Keller U (2012) Attosecond science: Recent highlights and future trends. Annu Rev Phys Chem 63:447-469.
    • (2012) Annu Rev Phys Chem , vol.63 , pp. 447-469
    • Gallmann, L.1    Cirelli, C.2    Keller, U.3
  • 31
    • 84875977389 scopus 로고    scopus 로고
    • Multidimensional attosecond resonant X-ray spectroscopy of molecules: Lessons from the optical regime
    • Mukamel S, Healion D, Zhang Y, Biggs JD (2013) Multidimensional attosecond resonant X-ray spectroscopy of molecules: Lessons from the optical regime. Annu Rev Phys Chem 64:101-127.
    • (2013) Annu Rev Phys Chem , vol.64 , pp. 101-127
    • Mukamel, S.1    Healion, D.2    Zhang, Y.3    Biggs, J.D.4
  • 32
    • 84875463596 scopus 로고    scopus 로고
    • Experimental demonstration of femtosecond two-color x-ray free-electron lasers
    • Lutman AA, et al. (2013) Experimental demonstration of femtosecond two-color x-ray free-electron lasers. Phys Rev Lett 110(13):134801-(1-5).
    • (2013) Phys Rev Lett , vol.110 , Issue.13 , pp. 1348011-1348015
    • Lutman, A.A.1
  • 33
    • 84876686612 scopus 로고    scopus 로고
    • Simultaneous femtosecond X-ray spectroscopy and diffraction of photosystem II at room temperature
    • Kern J, et al. (2013) Simultaneous femtosecond X-ray spectroscopy and diffraction of photosystem II at room temperature. Science 340(6131):491-495.
    • (2013) Science , vol.340 , Issue.6131 , pp. 491-495
    • Kern, J.1
  • 34
    • 84871810333 scopus 로고    scopus 로고
    • Optical-field-induced current in dielectrics
    • Schiffrin A, et al. (2013) Optical-field-induced current in dielectrics. Nature 493(7430): 70-74.
    • (2013) Nature , vol.493 , Issue.7430 , pp. 70-74
    • Schiffrin, A.1
  • 35
    • 84874204283 scopus 로고    scopus 로고
    • Femtosecond X-ray absorption spectroscopy at a hard X-ray free electron laser: Application to spin crossover dynamics
    • Lemke HT, et al. (2013) Femtosecond X-ray absorption spectroscopy at a hard X-ray free electron laser: Application to spin crossover dynamics. J Phys Chem A 117(4):735-740.
    • (2013) J Phys Chem A , vol.117 , Issue.4 , pp. 735-740
    • Lemke, H.T.1
  • 36
    • 84874983375 scopus 로고    scopus 로고
    • Real-time observation of surface bond breaking with an x-ray laser
    • Dell'Angela M, et al. (2013) Real-time observation of surface bond breaking with an x-ray laser. Science 339(6125):1302-1305.
    • (2013) Science , vol.339 , Issue.6125 , pp. 1302-1305
    • Dell'angela, M.1
  • 37
    • 77955489674 scopus 로고    scopus 로고
    • Real-time observation of valence electron motion
    • Goulielmakis E, et al. (2010) Real-time observation of valence electron motion. Nature 466(7307):739-743.
    • (2010) Nature , vol.466 , Issue.7307 , pp. 739-743
    • Goulielmakis, E.1
  • 38
    • 80054094817 scopus 로고    scopus 로고
    • Synthesized light transients
    • Wirth A, et al. (2011) Synthesized light transients. Science 334(6053):195-200.
    • (2011) Science , vol.334 , Issue.6053 , pp. 195-200
    • Wirth, A.1
  • 39
    • 77955963942 scopus 로고    scopus 로고
    • Time-resolved pump-probe experiments at the LCLS
    • Glownia JM, et al. (2010) Time-resolved pump-probe experiments at the LCLS. Opt Express 18(17):17620-17630.
    • (2010) Opt Express , vol.18 , Issue.17 , pp. 17620-17630
    • Glownia, J.M.1
  • 40
    • 0037444696 scopus 로고    scopus 로고
    • Natural transition orbitals
    • Martin RL (2003) Natural transition orbitals. J Chem Phys 118(11):4775-4777.
    • (2003) J Chem Phys , vol.118 , Issue.11 , pp. 4775-4777
    • Martin, R.L.1
  • 41
    • 77954210227 scopus 로고    scopus 로고
    • Manipulating quantum entanglement of quasiparticles in many-electron systems by attosecond X-ray pulses
    • Mukamel S, Wang H (2010) Manipulating quantum entanglement of quasiparticles in many-electron systems by attosecond X-ray pulses. Phys Rev A 81(6):062334-(1-4).
    • (2010) Phys Rev A , vol.81 , Issue.6 , pp. 0623341-0623344
    • Mukamel, S.1    Wang, H.2
  • 42
    • 84866888542 scopus 로고    scopus 로고
    • Efficient computation of adiabatic electronic populations in multi-mode vibronic systems: Theory, implementation, and application
    • Nikoobakht B, Köppel H, Gindensperger E, Cederbaum LS (2012) Efficient computation of adiabatic electronic populations in multi-mode vibronic systems: Theory, implementation, and application. J Chem Phys 137(11):114110-(1-14).
    • (2012) J Chem Phys , vol.137 , Issue.11 , pp. 1141101-1141114
    • Nikoobakht, B.1    Köppel, H.2    Gindensperger, E.3    Cederbaum, L.S.4
  • 43
    • 84867029419 scopus 로고    scopus 로고
    • Resource letter on stimulated inelastic X-ray scattering at an XFEL
    • SLAC National Accelerator Laboratory, Menlo Park, CA. Available at
    • Patterson B (2010) Resource letter on stimulated inelastic X-ray scattering at an XFEL. Technical report (SLAC National Accelerator Laboratory, Menlo Park, CA). Available at http //slac.stanford.edu/pubs/slactns/tn04/slac- tn-10-026.pdf. Accessed August 18, 2013.
    • (2010) Technical Report , vol.18
    • Patterson, B.1
  • 44
    • 79952097946 scopus 로고    scopus 로고
    • Nonlinear atomic response to intense ultrashort x rays
    • Doumy G, et al. (2011) Nonlinear atomic response to intense ultrashort x rays. Phys Rev Lett 106(8):083002-(1-4).
    • (2011) Phys Rev Lett , vol.106 , Issue.8 , pp. 0830021-0830024
    • Doumy, G.1
  • 45
    • 77954232615 scopus 로고    scopus 로고
    • Femtosecond electronic response of atoms to ultra-intense X-rays
    • Young L, et al. (2010) Femtosecond electronic response of atoms to ultra-intense X-rays. Nature 466(7302):56-61.
    • (2010) Nature , vol.466 , Issue.7302 , pp. 56-61
    • Young, L.1
  • 47
    • 84876352013 scopus 로고    scopus 로고
    • Multidimensional X-ray spectroscopy of valence and core excitations in cysteine
    • Biggs JD, Zhang Y, Healion D, Mukamel S (2013) Multidimensional X-ray spectroscopy of valence and core excitations in cysteine. J Chem Phys 138(14):144303-(1-14).
    • (2013) J Chem Phys , vol.138 , Issue.14 , pp. 1443031-1443114
    • Biggs, J.D.1    Zhang, Y.2    Healion, D.3    Mukamel, S.4
  • 48
    • 84866154363 scopus 로고    scopus 로고
    • Linear-response and real-time time-dependent density functional theory studies of core-level near-edge X-ray absorption
    • Lopata K, Van Kuiken BE, Khalil M, Govind N (2012) Linear-response and real-time time-dependent density functional theory studies of core-level near-edge X-ray absorption. J Chem Theory Comput 8(9):3284-3292.
    • (2012) J Chem Theory Comput , vol.8 , Issue.9 , pp. 3284-3292
    • Lopata, K.1    Van Kuiken, B.E.2    Khalil, M.3    Govind, N.4
  • 49
    • 70450206724 scopus 로고    scopus 로고
    • Revision c.01 (Gaussian, Wallingford, CT)
    • Frisch MJ, et al. (2009) Gaussian 09, Revision c.01 (Gaussian, Wallingford, CT).
    • (2009) Gaussian 09
    • Frisch, M.J.1
  • 50
    • 0000189651 scopus 로고
    • Density-functional thermochemistry. III. The role of exact exchange
    • Becke AD (1993) Density-functional thermochemistry. III. The role of exact exchange. J Chem Phys 98(7):5648-5652.
    • (1993) J Chem Phys , vol.98 , Issue.7 , pp. 5648-5652
    • Becke, A.D.1
  • 51
    • 33751157732 scopus 로고
    • Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields
    • Stephens PJ, Devlin FJ, Chabalowski CF, Frisch MJ (1994) Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields. J Phys Chem 98(45):11623-11627.
    • (1994) J Phys Chem , vol.98 , Issue.45 , pp. 11623-11627
    • Stephens, P.J.1    Devlin, F.J.2    Chabalowski, C.F.3    Frisch, M.J.4
  • 52
    • 0038330582 scopus 로고    scopus 로고
    • Time dependent density functional theory of core electrons excitations
    • Stener M, Fronzoni G, de Simone M (2003) Time dependent density functional theory of core electrons excitations. Chem Phys Lett 373(1-2):115-123.
    • (2003) Chem Phys Lett , vol.373 , Issue.1-2 , pp. 115-123
    • Stener, M.1    Fronzoni, G.2    De Simone, M.3
  • 53
    • 33947374777 scopus 로고    scopus 로고
    • Time-dependent density functional theory study of the X-ray absorption spectroscopy of acetylene, ethylene, and benzene on si(100)
    • Besley NA, Noble A (2007) Time-dependent density functional theory study of the X-ray absorption spectroscopy of acetylene, ethylene, and benzene on si(100). J Phys Chem C 111(8):3333-3340.
    • (2007) J Phys Chem C , vol.111 , Issue.8 , pp. 3333-3340
    • Besley, N.A.1    Noble, A.2
  • 54
    • 39049087114 scopus 로고    scopus 로고
    • Time-dependent density functional calculations of ligand k-edge X-ray absorption spectra
    • DeBeer-George S, Petrenko T, Neese F (2008) Time-dependent density functional calculations of ligand k-edge X-ray absorption spectra. Inorg Chim Acta 361(4):965-972.
    • (2008) Inorg Chim Acta , vol.361 , Issue.4 , pp. 965-972
    • Debeer-George, S.1    Petrenko, T.2    Neese, F.3
  • 55
    • 84870184982 scopus 로고    scopus 로고
    • Core and valence excitations in resonant X-ray spectroscopy using restricted excitation window time-dependent density functional theory
    • Zhang Y, Biggs JD, Healion D, Govind N, Mukamel S (2012) Core and valence excitations in resonant X-ray spectroscopy using restricted excitation window time-dependent density functional theory. J Chem Phys 137(19):194306-(1-10).
    • (2012) J Chem Phys , vol.137 , Issue.19 , pp. 1943061-1943110
    • Zhang, Y.1    Biggs, J.D.2    Healion, D.3    Govind, N.4    Mukamel, S.5
  • 56
    • 77955309392 scopus 로고    scopus 로고
    • NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
    • Valiev M, et al. (2010) NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations. Comput Phys Commun 181(9):1477-1489.
    • (2010) Comput Phys Commun , vol.181 , Issue.9 , pp. 1477-1489
    • Valiev, M.1
  • 57
    • 3142771297 scopus 로고    scopus 로고
    • A new hybrid exchange correlation functional using the coulomb-attenuating method (CAM-B3LYP)
    • Yanai T, Tew D, Handy N (2004) A new hybrid exchange correlation functional using the coulomb-attenuating method (CAM-B3LYP). Chem Phys Lett 393(1-3):51-57.
    • (2004) Chem Phys Lett , vol.393 , Issue.1-3 , pp. 51-57
    • Yanai, T.1    Tew, D.2    Handy, N.3
  • 58
    • 0001260561 scopus 로고    scopus 로고
    • Time-dependent density functional theory within the Tamm-Dancoff approximation
    • Hirata S, Head-Gordon M (1999) Time-dependent density functional theory within the Tamm-Dancoff approximation. Chem Phys Lett 314-(3-4):291-299.
    • (1999) Chem Phys Lett , vol.314 , Issue.3-4 , pp. 291-299
    • Hirata, S.1    Head-Gordon, M.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.