메뉴 건너뛰기




Volumn 118, Issue 43, 2014, Pages 12518-12530

Theoretical study of solvent effects on the ground and low-lying excited free energy surfaces of a push-pull substituted azobenzene

Author keywords

[No Author keywords available]

Indexed keywords

FREE ENERGY SURFACE; SOLVENT EFFECTS; THEORETICAL STUDY;

EID: 84908544478     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp506876v     Document Type: Article
Times cited : (17)

References (61)
  • 1
    • 84855697847 scopus 로고    scopus 로고
    • Rewritable and switching chiroptical supramolecular nanolayers
    • Schofield, W. C. E.; Badyal, J. P. S. Rewritable and switching chiroptical supramolecular nanolayers J. Mater. Chem. 2012, 22, 2180-2187
    • (2012) J. Mater. Chem. , vol.22 , pp. 2180-2187
    • Schofield, W.C.E.1    Badyal, J.P.S.2
  • 2
    • 69249218865 scopus 로고    scopus 로고
    • Synthesis and photoinduced surface relief grating formation of novel photo-responsive amorphous molecular materials, 4-[bis(9,9-dimethylfluoren-2-yl)amino]-4'-cyanoazobenzene and 4-[bis(9,9-dimethylfluoren-2-yl)-amino]-4'-nitroazobenzene
    • Nakano, H.; Takahashi, T.; Tanino, T.; Shirota, Y. Synthesis and photoinduced surface relief grating formation of novel photo-responsive amorphous molecular materials, 4-[bis(9,9-dimethylfluoren-2-yl)amino]-4'-cyanoazobenzene and 4-[bis(9,9-dimethylfluoren-2-yl)-amino]-4'-nitroazobenzene Dyes Pigments 2010, 84, 102-107
    • (2010) Dyes Pigments , vol.84 , pp. 102-107
    • Nakano, H.1    Takahashi, T.2    Tanino, T.3    Shirota, Y.4
  • 4
    • 78650743314 scopus 로고
    • Thermodynamic properties of the structural analogs benzo[c]cinnoline, trans-azobenzene, and cis-azobenzene
    • Schulze, F. W.; Petrick, H. J.; Cammenga, H. K.; Klinge, H. Thermodynamic properties of the structural analogs benzo[c]cinnoline, trans-azobenzene, and cis-azobenzene Z. Phys. Chem., Neue Folge 1977, 107, 1-19
    • (1977) Z. Phys. Chem., Neue Folge , vol.107 , pp. 1-19
    • Schulze, F.W.1    Petrick, H.J.2    Cammenga, H.K.3    Klinge, H.4
  • 5
    • 9244225861 scopus 로고
    • Thermal cis-trans-isomerization of substituted azobenzenes: A correction of the literature
    • Talaty, E. R.; Fargo, J. C. Thermal cis-trans-isomerization of substituted azobenzenes: A correction of the literature Chem. Commun. 1967, 2, 65-66
    • (1967) Chem. Commun. , vol.2 , pp. 65-66
    • Talaty, E.R.1    Fargo, J.C.2
  • 6
    • 0000817984 scopus 로고
    • Durr, H. Bouas-Lauran, H. Elsevier: Amsterdam, the Netherlands
    • Rau, H. Photochromism: Molecular and Systems; Durr, H.,; Bouas-Lauran, H., Eds.; Elsevier: Amsterdam, the Netherlands, 1990; p. 165.
    • (1990) Photochromism: Molecular and Systems , pp. 165
    • Rau, H.1
  • 7
    • 67049168862 scopus 로고    scopus 로고
    • Quantum chemical investigation of thermal cis-to-trans isomerization of azobenzene derivatives: Substituent effects, solvent effects, and comparison to experimental data
    • Dokic, J.; Gothe, M.; Wirth, J.; Peters, M. V.; Schwarz, J.; Hecht, S.; Saalfrank, P. Quantum chemical investigation of thermal cis-to-trans isomerization of azobenzene derivatives: Substituent effects, solvent effects, and comparison to experimental data J. Phys. Chem. A 2009, 113, 6763-6773
    • (2009) J. Phys. Chem. A , vol.113 , pp. 6763-6773
    • Dokic, J.1    Gothe, M.2    Wirth, J.3    Peters, M.V.4    Schwarz, J.5    Hecht, S.6    Saalfrank, P.7
  • 8
    • 33746377004 scopus 로고    scopus 로고
    • Theoretical study of the isomerization mechanism of azobenzene and disubstituted azobenzene derivatives
    • Crecca, C. R.; Roitberg, A. E. Theoretical study of the isomerization mechanism of azobenzene and disubstituted azobenzene derivatives J. Phys. Chem. A 2006, 110, 8188-8203
    • (2006) J. Phys. Chem. A , vol.110 , pp. 8188-8203
    • Crecca, C.R.1    Roitberg, A.E.2
  • 9
    • 34547599682 scopus 로고    scopus 로고
    • Reversible switching of tetra- tert -butyl-azobenzene on a Au(1 1 1) surface induced by light and thermal activation
    • Hagen, S.; Leyssner, F.; Nandi, D.; Wolf, M.; Tegeder, P. Reversible switching of tetra- tert -butyl-azobenzene on a Au(1 1 1) surface induced by light and thermal activation Chem. Phys. Lett. 2007, 444, 85-90
    • (2007) Chem. Phys. Lett. , vol.444 , pp. 85-90
    • Hagen, S.1    Leyssner, F.2    Nandi, D.3    Wolf, M.4    Tegeder, P.5
  • 10
    • 79953853385 scopus 로고    scopus 로고
    • Photodynamics and time-resolved fluorescence of azobenzene in solution: A mixed quantum-classical simulation
    • Cusati, T.; Granucci, G.; Persico, M. Photodynamics and time-resolved fluorescence of azobenzene in solution: A mixed quantum-classical simulation J. Am. Chem. Soc. 2011, 133, 5109-5123
    • (2011) J. Am. Chem. Soc. , vol.133 , pp. 5109-5123
    • Cusati, T.1    Granucci, G.2    Persico, M.3
  • 12
    • 0001776024 scopus 로고
    • Features of the photochemically active state surfaces of azobenzene
    • Monti, S.; Orlandi, G.; Palmieri, P. Features of the photochemically active state surfaces of azobenzene Chem. Phys. 1982, 71, 87-99
    • (1982) Chem. Phys. , vol.71 , pp. 87-99
    • Monti, S.1    Orlandi, G.2    Palmieri, P.3
  • 13
    • 0010188948 scopus 로고
    • A conformational basis for the description of the thermal E/Z isomerization of aromatic azo and azomethine compounds
    • Hofmann, H.-J.; Cimiraglia, R.; Tomasi, J. A conformational basis for the description of the thermal E/Z isomerization of aromatic azo and azomethine compounds J. Mol. Structure (Theochem) 1987, 152, 19-33
    • (1987) J. Mol. Structure (Theochem) , vol.152 , pp. 19-33
    • Hofmann, H.-J.1    Cimiraglia, R.2    Tomasi, J.3
  • 14
    • 0033569622 scopus 로고    scopus 로고
    • An ab initio study of the photochemistry of azobenzene
    • Cattaneo, P.; Persico, M. An ab initio study of the photochemistry of azobenzene Phys. Chem. Chem. Phys. 1999, 1, 4739-4743
    • (1999) Phys. Chem. Chem. Phys. , vol.1 , pp. 4739-4743
    • Cattaneo, P.1    Persico, M.2
  • 15
    • 0000789945 scopus 로고    scopus 로고
    • Picosecond time-resolved Raman study of trans-azobenzene
    • Fujino, T.; Tahara, T. Picosecond time-resolved Raman study of trans-azobenzene J. Phys. Chem. A 2000, 104, 4203-4210
    • (2000) J. Phys. Chem. A , vol.104 , pp. 4203-4210
    • Fujino, T.1    Tahara, T.2
  • 16
    • 0035972662 scopus 로고    scopus 로고
    • Influence of the environment on kinetics and electronic structure of asymmetric azobenzene derivatives-Experiment and quantum-chemical calculations
    • Matczyszyn, K.; Bartkowiak, W.; Leszczynski, J. Influence of the environment on kinetics and electronic structure of asymmetric azobenzene derivatives-Experiment and quantum-chemical calculations J. Mol. Struct. 2001, 565, 53-57
    • (2001) J. Mol. Struct. , vol.565 , pp. 53-57
    • Matczyszyn, K.1    Bartkowiak, W.2    Leszczynski, J.3
  • 17
    • 0035818132 scopus 로고    scopus 로고
    • Femtosecond time-resolved fluorescence study of photoisomerization of trans-azobenzene
    • Fujino, T.; Arzhantsev, S. Yu.; Tahara, T. Femtosecond time-resolved fluorescence study of photoisomerization of trans-azobenzene J. Phys. Chem. A 2001, 105, 8123-8129
    • (2001) J. Phys. Chem. A , vol.105 , pp. 8123-8129
    • Fujino, T.1    Arzhantsev S.Yu.2    Tahara, T.3
  • 18
    • 0035935308 scopus 로고    scopus 로고
    • Theoretical study on the photoisomerization of azobenzene
    • Ishikawa, T.; Noro, T.; Shoda, T. Theoretical study on the photoisomerization of azobenzene J. Chem. Phys. 2001, 115, 7503-7512
    • (2001) J. Chem. Phys. , vol.115 , pp. 7503-7512
    • Ishikawa, T.1    Noro, T.2    Shoda, T.3
  • 19
    • 2442646472 scopus 로고    scopus 로고
    • A theoretical study of the lowest electronic states of azobenzene: The role of torsion coordinate in the cis-trans photoisomerization
    • Gagliardi, L.; Orlandi, G.; Bernardi, F.; Cembran, A.; Garavelli, M. A theoretical study of the lowest electronic states of azobenzene: The role of torsion coordinate in the cis-trans photoisomerization Theor. Chem. Acc. 2004, 111, 363-372
    • (2004) Theor. Chem. Acc. , vol.111 , pp. 363-372
    • Gagliardi, L.1    Orlandi, G.2    Bernardi, F.3    Cembran, A.4    Garavelli, M.5
  • 21
    • 2442570089 scopus 로고    scopus 로고
    • The photoisomerization mechanism of azobenzene: A semiclassical simulation of nonadiabatic dynamics
    • Ciminelli, C.; Granucci, G.; Persico, M. The photoisomerization mechanism of azobenzene: A semiclassical simulation of nonadiabatic dynamics Chem.-Eur. J. 2004, 10, 2327-2341
    • (2004) Chem.-Eur. J. , vol.10 , pp. 2327-2341
    • Ciminelli, C.1    Granucci, G.2    Persico, M.3
  • 22
    • 7544222636 scopus 로고    scopus 로고
    • Computer simulation of photoinduced mass transport on azobenzene polymer films by particle method
    • Barada, D.; Itoh, M.; Yatagai, T. Computer simulation of photoinduced mass transport on azobenzene polymer films by particle method J. Appl. Phys. 2004, 96, 4204-4210
    • (2004) J. Appl. Phys. , vol.96 , pp. 4204-4210
    • Barada, D.1    Itoh, M.2    Yatagai, T.3
  • 23
    • 22944471420 scopus 로고    scopus 로고
    • Photoisomerization of azobenzene from first-principles constrained density-functional calculations
    • Tiago, M. L.; Ismail-Beigi, S.; Louie, S. G. Photoisomerization of azobenzene from first-principles constrained density-functional calculations J. Chem. Phys. 2005, 122, 094311
    • (2005) J. Chem. Phys. , vol.122 , pp. 094311
    • Tiago, M.L.1    Ismail-Beigi, S.2    Louie, S.G.3
  • 25
    • 47049085270 scopus 로고    scopus 로고
    • Untangling the excited states of DR1 in solution: An experimental and theoretical study
    • de Boni, L.; Toro, C.; Masunov, A. E.; Hernández, F. E. Untangling the excited states of DR1 in solution: An experimental and theoretical study J. Phys. Chem. A 2008, 112, 3886-3890
    • (2008) J. Phys. Chem. A , vol.112 , pp. 3886-3890
    • De Boni, L.1    Toro, C.2    Masunov, A.E.3    Hernández, F.E.4
  • 26
    • 56349103560 scopus 로고    scopus 로고
    • Influence of laser pulse parameters on dynamical processes during azobenzene photoisomerization
    • Sauer, P.; Allen, R. E. Influence of laser pulse parameters on dynamical processes during azobenzene photoisomerization J. Phys. Chem. A 2008, 112, 11142-11152
    • (2008) J. Phys. Chem. A , vol.112 , pp. 11142-11152
    • Sauer, P.1    Allen, R.E.2
  • 27
    • 58149173971 scopus 로고    scopus 로고
    • Why does trans-azobenzene have a smaller isomerization yield for ∗ excitation than for n∗ excitation?
    • Yuan, S.; Dou, Y.; Wu, W.; Hu, Y.; Zhao, J. Why does trans-azobenzene have a smaller isomerization yield for ∗ excitation than for n∗ excitation? J. Phys. Chem. A 2008, 112, 13326-13334
    • (2008) J. Phys. Chem. A , vol.112 , pp. 13326-13334
    • Yuan, S.1    Dou, Y.2    Wu, W.3    Hu, Y.4    Zhao, J.5
  • 28
    • 42149163354 scopus 로고    scopus 로고
    • The different photoisomerization efficiency of azobenzene in the lowest n∗ and ∗ singlets: The role of a phantom state
    • Conti, I.; Garavelli, M.; Orlandi, G. The different photoisomerization efficiency of azobenzene in the lowest n∗ and ∗ singlets: The role of a phantom state J. Am. Chem. Soc. 2008, 130, 5216-5230
    • (2008) J. Am. Chem. Soc. , vol.130 , pp. 5216-5230
    • Conti, I.1    Garavelli, M.2    Orlandi, G.3
  • 29
    • 70450278887 scopus 로고    scopus 로고
    • Ab initio molecular dynamics simulation of photoisomerization in azobenzene in the n state
    • Ootani, Y.; Satoh, K.; Nakayama, A.; Noro, T.; Taketsugu, T. Ab initio molecular dynamics simulation of photoisomerization in azobenzene in the n state J. Chem. Phys. 2009, 131, 194306
    • (2009) J. Chem. Phys. , vol.131 , pp. 194306
    • Ootani, Y.1    Satoh, K.2    Nakayama, A.3    Noro, T.4    Taketsugu, T.5
  • 30
    • 67649781275 scopus 로고    scopus 로고
    • Solvent dependent photo-isomerization of 4-dimethylaminoazobenzene carboxylic acid
    • Lee, Y. J.; Yang, S. I.; Kang, D. S.; Joo, S.-W. Solvent dependent photo-isomerization of 4-dimethylaminoazobenzene carboxylic acid Chem. Phys. 2009, 361, 176-179
    • (2009) Chem. Phys. , vol.361 , pp. 176-179
    • Lee, Y.J.1    Yang, S.I.2    Kang, D.S.3    Joo, S.-W.4
  • 31
    • 61449122913 scopus 로고    scopus 로고
    • Isomerization and electronic relaxation of azobenzene after being excited to higher electronic states
    • Wang, L.; Wu, W.; Yi, C.; Wang, X. Isomerization and electronic relaxation of azobenzene after being excited to higher electronic states J. Mol. Graphics Modell. 2009, 27, 792-796
    • (2009) J. Mol. Graphics Modell. , vol.27 , pp. 792-796
    • Wang, L.1    Wu, W.2    Yi, C.3    Wang, X.4
  • 32
    • 77950367404 scopus 로고    scopus 로고
    • How does the trans-cis photoisomerization of azobenzene take place in organic solvents?
    • Tiberio, G.; Muccioli, L.; Berardi, R.; Zannoni, C. How does the trans-cis photoisomerization of azobenzene take place in organic solvents? ChemPhysChem 2010, 11, 1018-1028
    • (2010) ChemPhysChem , vol.11 , pp. 1018-1028
    • Tiberio, G.1    Muccioli, L.2    Berardi, R.3    Zannoni, C.4
  • 35
    • 0000189651 scopus 로고
    • Density-functional thermochemistry. III. the role of exact exchange
    • Becke, A. D. Density-functional thermochemistry. III. The role of exact exchange J. Chem. Phys. 1993, 98, 5648-5652
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648-5652
    • Becke, A.D.1
  • 36
    • 0345491105 scopus 로고
    • Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
    • Lee, C.; Yang, W.; Parr, R. G. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Phys. Rev. B 1988, 37, 785-789
    • (1988) Phys. Rev. B , vol.37 , pp. 785-789
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 37
    • 0000216001 scopus 로고
    • Accurate spin-dependent electron liquid correlation energies for local spin density calculations: A critical analysis
    • Vosko, S. H.; Wilk, L.; Nusair, M. Accurate spin-dependent electron liquid correlation energies for local spin density calculations: A critical analysis Can. J. Phys. 1980, 58, 1200-1211
    • (1980) Can. J. Phys. , vol.58 , pp. 1200-1211
    • Vosko, S.H.1    Wilk, L.2    Nusair, M.3
  • 38
    • 33751157732 scopus 로고
    • Ab Initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields
    • Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. Ab Initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields J. Phys. Chem. 1994, 98, 11623-11627
    • (1994) J. Phys. Chem. , vol.98 , pp. 11623-11627
    • Stephens, P.J.1    Devlin, F.J.2    Chabalowski, C.F.3    Frisch, M.J.4
  • 39
    • 36849115659 scopus 로고
    • Self-consistent molecular-orbital methods. IX. An extended gaussian-type basis for molecular-orbital studies of organic molecules
    • Ditchfield, R.; Hehre, W. J.; Pople, J. A. Self-consistent molecular-orbital methods. IX. An extended gaussian-type basis for molecular-orbital studies of organic molecules J. Chem. Phys. 1971, 54, 724-729
    • (1971) J. Chem. Phys. , vol.54 , pp. 724-729
    • Ditchfield, R.1    Hehre, W.J.2    Pople, J.A.3
  • 40
    • 0347170005 scopus 로고
    • Self-consistent molecular orbital methods. XII. Further extensions of gaussian-type basis sets for use in molecular orbital studies of organic molecules
    • Hehre, W. J.; Ditchfield, R.; Pople, J. A. Self-consistent molecular orbital methods. XII. Further extensions of gaussian-type basis sets for use in molecular orbital studies of organic molecules J. Chem. Phys. 1972, 56, 2257-2261
    • (1972) J. Chem. Phys. , vol.56 , pp. 2257-2261
    • Hehre, W.J.1    Ditchfield, R.2    Pople, J.A.3
  • 41
    • 33748545144 scopus 로고
    • The influence of polarization functions on molecular orbital hydrogenation energies
    • Hariharan, P. C.; Pople, J. A. The influence of polarization functions on molecular orbital hydrogenation energies Theoret. Chim. Acta 1973, 28, 213-222
    • (1973) Theoret. Chim. Acta , vol.28 , pp. 213-222
    • Hariharan, P.C.1    Pople, J.A.2
  • 42
    • 0031187131 scopus 로고    scopus 로고
    • Density functional calculations of structures, vibrational frequencies, and normal modes of trans- and cis-azobenzene
    • Biswas, N.; Umapathy, S. Density functional calculations of structures, vibrational frequencies, and normal modes of trans- and cis-azobenzene J. Phys. Chem. A 1997, 101, 5555-5566
    • (1997) J. Phys. Chem. A , vol.101 , pp. 5555-5566
    • Biswas, N.1    Umapathy, S.2
  • 44
    • 84961980477 scopus 로고    scopus 로고
    • Quantum mechanical continuum solvation models
    • Tomasi, J.; Mennucci, B.; Cammi, R. Quantum mechanical continuum solvation models Chem. Rev. 2005, 105, 2999-3093
    • (2005) Chem. Rev. , vol.105 , pp. 2999-3093
    • Tomasi, J.1    Mennucci, B.2    Cammi, R.3
  • 45
    • 0142184976 scopus 로고    scopus 로고
    • ASEP/MD: A program for the calculation of solvent effects combining QM/MM methods and the mean field approximation
    • Fdez. Galván, I.; Sánchez, M. L.; Martín, M. E.; Olivares del Valle, F. J.; Aguilar, M. A. ASEP/MD: A program for the calculation of solvent effects combining QM/MM methods and the mean field approximation Comput. Phys. Commun. 2003, 155, 244-259
    • (2003) Comput. Phys. Commun. , vol.155 , pp. 244-259
    • Fdez. Galván, I.1    Sánchez, M.L.2    Martín, M.E.3    Olivares Del Valle, F.J.4    Aguilar, M.A.5
  • 46
    • 84962339205 scopus 로고    scopus 로고
    • Study of solvent effects by means of averaged solvent electrostatic potentials obtained from molecular dynamics data
    • Sánchez, M. L.; Aguilar, M. A.; Olivares del Valle, F. J. Study of solvent effects by means of averaged solvent electrostatic potentials obtained from molecular dynamics data J. Comput. Chem. 1997, 18, 313-322
    • (1997) J. Comput. Chem. , vol.18 , pp. 313-322
    • Sánchez, M.L.1    Aguilar, M.A.2    Olivares Del Valle, F.J.3
  • 47
    • 0038816910 scopus 로고    scopus 로고
    • Solvent effects by means of averaged solvent electrostatic potentials: Coupled method
    • Sánchez, M. L.; Martín, M. E.; Aguilar, M. A.; Olivares del Valle, F. J. Solvent effects by means of averaged solvent electrostatic potentials: Coupled method J. Comput. Chem. 2000, 21, 705-715
    • (2000) J. Comput. Chem. , vol.21 , pp. 705-715
    • Sánchez, M.L.1    Martín, M.E.2    Aguilar, M.A.3    Olivares Del Valle, F.J.4
  • 48
    • 0037566239 scopus 로고    scopus 로고
    • Theoretical study of liquid hydrogen fluoride. Application of the averaged solvent electrostatic potential/molecular dynamics method
    • Munoz Losa, A.; Fdez. Galván, I.; Martín, M. E.; Aguilar, M. A. Theoretical study of liquid hydrogen fluoride. Application of the averaged solvent electrostatic potential/molecular dynamics method J. Phys. Chem. B 2003, 107, 5043-5047
    • (2003) J. Phys. Chem. B , vol.107 , pp. 5043-5047
    • Munoz Losa, A.1    Fdez. Galván, I.2    Martín, M.E.3    Aguilar, M.A.4
  • 49
    • 0037046775 scopus 로고    scopus 로고
    • Theoretical calculation of the Stark component of the solute-solvent interaction energy. Validity of the mean field approximation in the study of liquids and solutions
    • Sánchez, M. L.; Martín, M. E.; Fdez. Galván, I.; Olivares del Valle, F. J.; Aguilar, M. A. Theoretical calculation of the Stark component of the solute-solvent interaction energy. Validity of the mean field approximation in the study of liquids and solutions J. Phys. Chem. B 2002, 106, 4813-4817
    • (2002) J. Phys. Chem. B , vol.106 , pp. 4813-4817
    • Sánchez, M.L.1    Martín, M.E.2    Fdez. Galván, I.3    Olivares Del Valle, F.J.4    Aguilar, M.A.5
  • 52
    • 0034635944 scopus 로고    scopus 로고
    • Moldy: A portable molecular dynamics simulation program for serial and parallel computers
    • Refson, K. Moldy: A portable molecular dynamics simulation program for serial and parallel computers Comput. Phys. Commun. 2000, 126, 310-329
    • (2000) Comput. Phys. Commun. , vol.126 , pp. 310-329
    • Refson, K.1
  • 53
    • 0029912748 scopus 로고    scopus 로고
    • Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids
    • Jorgensen, W. L.; Maxwell, D. S.; Tirado-Rives, J. Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids J. Am. Chem. Soc. 1996, 118, 11225-11236
    • (1996) J. Am. Chem. Soc. , vol.118 , pp. 11225-11236
    • Jorgensen, W.L.1    Maxwell, D.S.2    Tirado-Rives, J.3
  • 54
    • 84988098098 scopus 로고
    • Atomic charges derived from electrostatic potentials: A detailed study
    • Chirlian, L. E.; Francl, M. M. Atomic charges derived from electrostatic potentials: A detailed study J. Comput. Chem. 1987, 8, 894-905
    • (1987) J. Comput. Chem. , vol.8 , pp. 894-905
    • Chirlian, L.E.1    Francl, M.M.2
  • 55
    • 84986513567 scopus 로고
    • Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis
    • Breneman, M.; Wiberg, K. B. Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis J. Comput. Chem. 1990, 11, 361-373
    • (1990) J. Comput. Chem. , vol.11 , pp. 361-373
    • Breneman, M.1    Wiberg, K.B.2
  • 58
    • 0001538909 scopus 로고
    • Canonical dynamics: Equilibrium phase-space distributions
    • Hoover, W. G. Canonical dynamics: Equilibrium phase-space distributions Phys. Rev. A 1985, 31, 1695-1697
    • (1985) Phys. Rev. A , vol.31 , pp. 1695-1697
    • Hoover, W.G.1
  • 59
    • 37249069530 scopus 로고    scopus 로고
    • Excited-state structure and dynamics of cis- and trans-Azobenzene from resonance Raman intensity analysis
    • Stuart, C. M.; Frontiera, R. R.; Mathies, R. A. Excited-state structure and dynamics of cis- and trans-Azobenzene from resonance Raman intensity analysis J. Phys. Chem. A 2007, 111, 12072-12080
    • (2007) J. Phys. Chem. A , vol.111 , pp. 12072-12080
    • Stuart, C.M.1    Frontiera, R.R.2    Mathies, R.A.3
  • 60
    • 34247855913 scopus 로고    scopus 로고
    • Light driven molecular switches: Exploring and tuning their photophysical and photochemical properties
    • Altoe, P.; Bernardi, F.; Conti, I.; Garavelli, M.; Negri, F.; Orlandi, G. Light driven molecular switches: Exploring and tuning their photophysical and photochemical properties Theor. Chem. Acc. 2007, 117, 1041-1059
    • (2007) Theor. Chem. Acc. , vol.117 , pp. 1041-1059
    • Altoe, P.1    Bernardi, F.2    Conti, I.3    Garavelli, M.4    Negri, F.5    Orlandi, G.6
  • 61
    • 84855463497 scopus 로고    scopus 로고
    • Photoisomerization in different classes of azobenzene
    • Bandara, H. M. D.; Burdette, S. C. Photoisomerization in different classes of azobenzene Chem. Soc. Rev. 2012, 41, 1809-1825
    • (2012) Chem. Soc. Rev. , vol.41 , pp. 1809-1825
    • Bandara, H.M.D.1    Burdette, S.C.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.