-
2
-
-
0013504214
-
Theoretical calculations of singlet oxygen reactions
-
(Edited by A. A. Frimer), CRC Press, Boca Raton, FL
-
Yamaguchi, K. (1985) Theoretical calculations of singlet oxygen reactions. In Singlet Oxygen, Vol. 3 (Edited by A. A. Frimer), pp. 119-251. CRC Press, Boca Raton, FL.
-
(1985)
Singlet Oxygen
, vol.3
, pp. 119-251
-
-
Yamaguchi, K.1
-
3
-
-
33749333894
-
Interpretation of the atmospheric oxygen bands; electronic levels of the oxygen molecule
-
Mulliken, R. S. (1928) Interpretation of the atmospheric oxygen bands; electronic levels of the oxygen molecule. Nature 122, 505.
-
(1928)
Nature
, vol.122
, pp. 505
-
-
Mulliken, R.S.1
-
4
-
-
0001830002
-
Interpretation of band spectra. III. Electron quantum numbers and states of molecules and their atoms
-
Mulliken, R. S. (1932) Interpretation of band spectra. III. Electron quantum numbers and states of molecules and their atoms. Rev. Mod. Phys. 4, 1-86.
-
(1932)
Rev. Mod. Phys.
, vol.4
, pp. 1-86
-
-
Mulliken, R.S.1
-
7
-
-
0002454460
-
Singlet oxygen electronic structure and photosensitization
-
(Edited by H. H. Wasserman and R. W. Murray), Academic Press, New York
-
Kasha, M. and D. E. Brabham (1979) Singlet oxygen electronic structure and photosensitization. In Singlet Oxygen (Edited by H. H. Wasserman and R. W. Murray), pp. 1-33. Academic Press, New York.
-
(1979)
Singlet Oxygen
, pp. 1-33
-
-
Kasha, M.1
Brabham, D.E.2
-
9
-
-
33947291445
-
Physical and chemical properties of singlet molecular oxygen
-
Kearns, D. R. (1971) Physical and chemical properties of singlet molecular oxygen. Chem. Rev. 71, 395-427.
-
(1971)
Chem. Rev.
, vol.71
, pp. 395-427
-
-
Kearns, D.R.1
-
12
-
-
0033449808
-
Calculations on open shell molecules: A beginner's guide
-
Bally, T. and W. T. Borden (1999) Calculations on open shell molecules: A beginner's guide. Rev. Comput. Chem. 13, 1-97.
-
(1999)
Rev. Comput. Chem.
, vol.13
, pp. 1-97
-
-
Bally, T.1
Borden, W.T.2
-
17
-
-
16144366604
-
On the inherent divergence in the Møller-Plesset series. The neon atom - A test case
-
Christiansen, O., J. Olsen, P. Jørgensen, H. Koch and P.-Å. Malmqvist (1996) On the inherent divergence in the Møller-Plesset series. The neon atom - A test case. Chem. Phys. Lett. 261, 369-378.
-
(1996)
Chem. Phys. Lett.
, vol.261
, pp. 369-378
-
-
Christiansen, O.1
Olsen, J.2
Jørgensen, P.3
Koch, H.4
Malmqvist, P.-Å.5
-
18
-
-
0000119421
-
Surprising cases of divergent behavior in Møller-Plesset perturbation theory
-
Olsen, J., O. Christiansen, H. Koch and P. Jørgensen (1996) Surprising cases of divergent behavior in Møller-Plesset perturbation theory. J. Chem. Phys. 105, 5082-5090.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 5082-5090
-
-
Olsen, J.1
Christiansen, O.2
Koch, H.3
Jørgensen, P.4
-
19
-
-
0033692079
-
Divergence in Møller-Plesset theory: A simple explanation based on a two-state model
-
Olsen, J., P. Jørgensen, T. Helgaker and O. Christiansen (2000) Divergence in Møller-Plesset theory: A simple explanation based on a two-state model. J. Chem. Phys. 112, 9736-9748.
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 9736-9748
-
-
Olsen, J.1
Jørgensen, P.2
Helgaker, T.3
Christiansen, O.4
-
20
-
-
0032022674
-
Use of Møller-Plesset perturbation theory in molecular calculations: Spectroscopic constants of first row diatomic molecules
-
Dunning, T. H. and K. A. Peterson (1998) Use of Møller-Plesset perturbation theory in molecular calculations: Spectroscopic constants of first row diatomic molecules. J. Chem. Phys. 108, 4761-4771.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 4761-4771
-
-
Dunning, T.H.1
Peterson, K.A.2
-
21
-
-
6944251055
-
Note on an approximation treatment for many-electron systems
-
Møller, C. and M. S. Plesset (1934) Note on an approximation treatment for many-electron systems. Phys. Rev. 46, 618-622.
-
(1934)
Phys. Rev.
, vol.46
, pp. 618-622
-
-
Møller, C.1
Plesset, M.S.2
-
22
-
-
33748338364
-
Coupled-cluster theory with emphasis on selected new developments
-
(In press, DOI: 10.1007/500214-005-0037-5)
-
Christiansen, O. (2006) Coupled-cluster theory with emphasis on selected new developments. Theor. Chem. Acc. (In press, DOI: 10.1007/500214-005-0037-5).
-
(2006)
Theor. Chem. Acc.
-
-
Christiansen, O.1
-
23
-
-
0000111526
-
Coupled cluster theory
-
(Edited by P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollmann, H. F. Schaefer and P. R. Schreiner). Wiley, Chichester
-
Gauss, J. (1998) Coupled cluster theory. In Encyclopedia of Computational Chemistry (Edited by P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollmann, H. F. Schaefer and P. R. Schreiner). pp. 615-636. Wiley, Chichester.
-
(1998)
Encyclopedia of Computational Chemistry
, pp. 615-636
-
-
Gauss, J.1
-
24
-
-
0030125534
-
Dynamical and nondynamical correlation
-
Mok, D. K. W., R. Neumann and N. C. Handy (1996) Dynamical and nondynamical correlation. J. Phys. Chem. 100, 6225-6230.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 6225-6230
-
-
Mok, D.K.W.1
Neumann, R.2
Handy, N.C.3
-
25
-
-
49149090180
-
Multiconfigurational perturbation theory: Applications in electronic spectroscopy
-
Roos, B. O., K. Andersson, M. P. Fülscher, P.-Å. Malmqvist, L. Serrano-Andrés, K. Pierloot and M. Merchan (1996) Multiconfigurational perturbation theory: Applications in electronic spectroscopy. Adv. Chem. Phys. 93, 219-331.
-
(1996)
Adv. Chem. Phys.
, vol.93
, pp. 219-331
-
-
Roos, B.O.1
Andersson, K.2
Fülscher, M.P.3
Malmqvist, P.-Å.4
Serrano-Andrés, L.5
Pierloot, K.6
Merchan, M.7
-
26
-
-
30544453862
-
Automated derivation and parallel computer implementation of renormalized and active-space coupled-cluster methods
-
Piecuch, P., S. Hirata, K. Kowalski, P.-D. Fan and T. L. Windus (2006) Automated derivation and parallel computer implementation of renormalized and active-space coupled-cluster methods. Int. J. Quant. Chem. 106, 79-97.
-
(2006)
Int. J. Quant. Chem.
, vol.106
, pp. 79-97
-
-
Piecuch, P.1
Hirata, S.2
Kowalski, K.3
Fan, P.-D.4
Windus, T.L.5
-
28
-
-
0001093289
-
The mechanism of the ene reaction of singlet oxygen with olefins
-
Harding, L. B. and W. A. Goddard (1980) The mechanism of the ene reaction of singlet oxygen with olefins. J. Am. Chem. Soc. 102, 439-449.
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 439-449
-
-
Harding, L.B.1
Goddard, W.A.2
-
30
-
-
0001102132
-
Symmetry in density-functional theory
-
Görling, A. (1993) Symmetry in density-functional theory. Phys. Rev. A 47, 2783-2799.
-
(1993)
Phys. Rev. A
, vol.47
, pp. 2783-2799
-
-
Görling, A.1
-
31
-
-
0000820188
-
Application of spin-restricted open-shell Kohn-Sham method to atomic and molecular multiplet states
-
Filatov, M. and S. Shaik (1998) Application of spin-restricted open-shell Kohn-Sham method to atomic and molecular multiplet states. J. Chem. Phys. 110, 116-125.
-
(1998)
J. Chem. Phys.
, vol.110
, pp. 116-125
-
-
Filatov, M.1
Shaik, S.2
-
32
-
-
0037046714
-
Optimization of conical intersections with floating occupation semiempirical configuration interaction wave functions
-
Toniolo, A., M. Ben-Nun and T. J. Martinez (2002) Optimization of conical intersections with floating occupation semiempirical configuration interaction wave functions. J. Phys. Chem. A 106, 4679-4689.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 4679-4689
-
-
Toniolo, A.1
Ben-Nun, M.2
Martinez, T.J.3
-
33
-
-
5644244488
-
Conical intersection dynamics in solution: The chromophore of green fluorescent protein
-
Toniolo, A., S. Olsen, L. Manohar and T. J. Martinez (2004) Conical intersection dynamics in solution: The chromophore of green fluorescent protein. Faraday Disc. 127, 149-163.
-
(2004)
Faraday Disc.
, vol.127
, pp. 149-163
-
-
Toniolo, A.1
Olsen, S.2
Manohar, L.3
Martinez, T.J.4
-
34
-
-
84987098062
-
Intensities of spin-forbidden transitions in molecular oxygen
-
Minaev, B. F. (1980) Intensities of spin-forbidden transitions in molecular oxygen. Int. J. Quant. Chem. 17, 367-374.
-
(1980)
Int. J. Quant. Chem.
, vol.17
, pp. 367-374
-
-
Minaev, B.F.1
-
35
-
-
36549100225
-
Linear and nonlinear response functions for an exact state and for an MCSCF state
-
Olsen, J. and P. Jørgensen (1985) Linear and nonlinear response functions for an exact state and for an MCSCF state. J. Chem. Phys. 82, 3235-3264.
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 3235-3264
-
-
Olsen, J.1
Jørgensen, P.2
-
36
-
-
0000186252
-
Time-dependent response theory with applications to self-consistent field and multiconfigurational self-consistent field wave functions
-
(Edited by D. R. Yarkony), World Scientific, Singapore
-
Olsen, J. and P. Jørgensen (1995) Time-dependent response theory with applications to self-consistent field and multiconfigurational self-consistent field wave functions. In Modern Electronic Structure Theory, Part II. Advanced Series in Physical Chemistry (Edited by D. R. Yarkony), pp. 857-990. World Scientific, Singapore.
-
(1995)
Modern Electronic Structure Theory, Part II. Advanced Series in Physical Chemistry
, pp. 857-990
-
-
Olsen, J.1
Jørgensen, P.2
-
37
-
-
0038924893
-
Response functions from a Fourier component variational perturbation theory applied to a time-averaged quasienergy
-
Christiansen, O., P. Jørgensen and C. Hättig (1998) Response functions from a Fourier component variational perturbation theory applied to a time-averaged quasienergy. Int. J. Quant. Chem. 68, 1-52.
-
(1998)
Int. J. Quant. Chem.
, vol.68
, pp. 1-52
-
-
Christiansen, O.1
Jørgensen, P.2
Hättig, C.3
-
38
-
-
1542595937
-
Time-dependent density functional theory
-
Gross, E. K. U. and W. Kohn (1990) Time-dependent density functional theory. Adv. Quantum Chem. 21, 255-288.
-
(1990)
Adv. Quantum Chem.
, vol.21
, pp. 255-288
-
-
Gross, E.K.U.1
Kohn, W.2
-
39
-
-
0000344666
-
Higher-order response theory based on the quasienergy derivatives: The derivation of the frequency-dependent polarizabilities and hyperpolarizabilities
-
Sasagane, K., F. Aiga and R. Itoh (1993) Higher-order response theory based on the quasienergy derivatives: The derivation of the frequency-dependent polarizabilities and hyperpolarizabilities. J. Chem. Phys. 99, 3738-3778.
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 3738-3778
-
-
Sasagane, K.1
Aiga, F.2
Itoh, R.3
-
40
-
-
0036904361
-
Density functional theory of linear and nonlinear time-dependent molecular properties
-
Salek, P., O. Vahtras, T. Helgaker and H. Ågren (2002) Density functional theory of linear and nonlinear time-dependent molecular properties. J. Chem. Phys. 117, 9630-9645.
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 9630-9645
-
-
Salek, P.1
Vahtras, O.2
Helgaker, T.3
Ågren, H.4
-
41
-
-
32044432133
-
Benchmarking two-photon absorption with CC3 quadratic response theory, and comparison with density functional response theory
-
Paterson, M. J., O. Christiansen, F. Pawlowski, P. Jørgensen, C. Hattig, T. Helgaker and P. Salek (2006) Benchmarking two-photon absorption with CC3 quadratic response theory, and comparison with density functional response theory. J. Chem. Phys. 124, 054322.
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 054322
-
-
Paterson, M.J.1
Christiansen, O.2
Pawlowski, F.3
Jørgensen, P.4
Hattig, C.5
Helgaker, T.6
Salek, P.7
-
43
-
-
58149324359
-
2, and Ne in full configuration interaction and the hierarchy CCS, CC2, CCSD, and CC3 of coupled cluster models
-
2, and Ne in full configuration interaction and the hierarchy CCS, CC2, CCSD, and CC3 of coupled cluster models. Chem. Phys. Lett. 244, 75-82.
-
(1995)
Chem. Phys. Lett.
, vol.244
, pp. 75-82
-
-
Koch, H.1
Christiansen, O.2
Jørgensen, P.3
Olsen, J.4
-
44
-
-
0942299406
-
Equation-of-motion spin-flip coupled-cluster model with single and double substitutions: Theory and application to cyclobutadiene
-
Levchenko, S. V. and A. I. Krylov (2004) Equation-of-motion spin-flip coupled-cluster model with single and double substitutions: Theory and application to cyclobutadiene. J. Chem. Phys. 120, 175-185.
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 175-185
-
-
Levchenko, S.V.1
Krylov, A.I.2
-
45
-
-
23044498612
-
Coupled cluster methods including triple excitations for excited states of radicals
-
Smith, C. E., R. A. King and T. D. Crawford (2005) Coupled cluster methods including triple excitations for excited states of radicals. J. Chem. Phys. 122, 054110.
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 054110
-
-
Smith, C.E.1
King, R.A.2
Crawford, T.D.3
-
47
-
-
0003140963
-
Ab initio calculation of spin-orbit effects in molecules including electron correlation
-
(Edited by D. R. Yarkony), World Scientific, Singapore
-
Hess, B. A., C. M. Marian and S. D. Peyerimhoff (1995) Ab initio calculation of spin-orbit effects in molecules including electron correlation. In Modern Electronic Structure Theory, Part 1 (Edited by D. R. Yarkony), pp. 152-278. World Scientific, Singapore.
-
(1995)
Modern Electronic Structure Theory
, Issue.PART 1
, pp. 152-278
-
-
Hess, B.A.1
Marian, C.M.2
Peyerimhoff, S.D.3
-
48
-
-
0000604021
-
Ab initio evaluation of the fine structure of the oxygen molecule
-
Langhoff, S. R. (1974) Ab initio evaluation of the fine structure of the oxygen molecule. J. Chem. Phys. 61, 1708-1716.
-
(1974)
J. Chem. Phys.
, vol.61
, pp. 1708-1716
-
-
Langhoff, S.R.1
-
49
-
-
36149002820
-
Theory of the fine structure of the molecular oxygen ground state
-
Tinkham, M. and M. W. P. Strandberg (1955) Theory of the fine structure of the molecular oxygen ground state. Phys. Rev. 97, 937-951.
-
(1955)
Phys. Rev.
, vol.97
, pp. 937-951
-
-
Tinkham, M.1
Strandberg, M.W.P.2
-
50
-
-
36149020592
-
Interaction of molecular oxygen with a magnetic field
-
Tinkham, M. and M. W. P. Strandberg (1955) Interaction of molecular oxygen with a magnetic field. Phys. Rev. 97, 951-966.
-
(1955)
Phys. Rev.
, vol.97
, pp. 951-966
-
-
Tinkham, M.1
Strandberg, M.W.P.2
-
53
-
-
0002664139
-
Application of the collision complex model to the photophysical processes of singlet oxygen in liquids
-
Lin, S. H., J. Lewis and T. A. Moore (1991) Application of the collision complex model to the photophysical processes of singlet oxygen in liquids. J. Photochem. Photobiol. A: Chem. 56, 25-34.
-
(1991)
J. Photochem. Photobiol. A: Chem.
, vol.56
, pp. 25-34
-
-
Lin, S.H.1
Lewis, J.2
Moore, T.A.3
-
55
-
-
33751154836
-
- transition in molecular oxygen: A Fourier transform near-infrared luminescence study
-
- transition in molecular oxygen: A Fourier transform near-infrared luminescence study. J. Phys. Chem. 99, 17586-17592.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 17586-17592
-
-
Wessels, J.M.1
Rodgers, M.A.J.2
-
57
-
-
1842832022
-
Ab initio study of the ground state properties of molecular oxygen
-
Minaev, B. F. (2004) Ab initio study of the ground state properties of molecular oxygen. Spectrochim. Acta, A 60, 1027-1041.
-
(2004)
Spectrochim. Acta, A
, vol.60
, pp. 1027-1041
-
-
Minaev, B.F.1
-
58
-
-
33750817741
-
Radiative lifetimes on singlet oxygen molecule: A perturbation-variation calculation
-
Carr, C. E., Y. K. Pan and T. Y. Chang (1976) Radiative lifetimes on singlet oxygen molecule: A perturbation-variation calculation. Chem. Phys. 18, 251-256.
-
(1976)
Chem. Phys.
, vol.18
, pp. 251-256
-
-
Carr, C.E.1
Pan, Y.K.2
Chang, T.Y.3
-
59
-
-
33750818793
-
Radiative lifetimes of the singlet oxygen molecule
-
Zhu, J. K., J. Li and Y. K. Pan (1981) Radiative lifetimes of the singlet oxygen molecule. Chem. Phys. Lett. 78, 129-130.
-
(1981)
Chem. Phys. Lett.
, vol.78
, pp. 129-130
-
-
Zhu, J.K.1
Li, J.2
Pan, Y.K.3
-
60
-
-
0000908566
-
2, and so
-
2, and SO. Chem. Phys. 89, 223-236.
-
(1984)
Chem. Phys.
, vol.89
, pp. 223-236
-
-
Klotz, R.1
Marian, C.M.2
Peyerimhoff, S.D.3
Hess, B.A.4
Buenker, R.J.5
-
61
-
-
5244381538
-
High-resolution spectroscopy of the oxygen A band
-
Ritter, K. J. and T. D. Wilkerson (1987) High-resolution spectroscopy of the oxygen A band. J. Mol. Spectrosc. 121, 1-19.
-
(1987)
J. Mol. Spectrosc.
, vol.121
, pp. 1-19
-
-
Ritter, K.J.1
Wilkerson, T.D.2
-
64
-
-
0034650086
-
Oxygen absorption below and near the Herzberg I continuum. Ab initio calculation of the transition probability from metastable states
-
Minaev, B. F. (2000) Oxygen absorption below and near the Herzberg I continuum. Ab initio calculation of the transition probability from metastable states. Chem. Phys. 252, 25-46.
-
(2000)
Chem. Phys.
, vol.252
, pp. 25-46
-
-
Minaev, B.F.1
-
65
-
-
33947474491
-
Molecular complexes and their spectra. XII. Ultraviolet absorption spectra caused by the interaction of oxygen with organic molecules
-
Tsubomura, H. and R. S. Mulliken (1960) Molecular complexes and their spectra. XII. Ultraviolet absorption spectra caused by the interaction of oxygen with organic molecules. J. Am. Chem. Soc. 82, 5966-5974.
-
(1960)
J. Am. Chem. Soc.
, vol.82
, pp. 5966-5974
-
-
Tsubomura, H.1
Mulliken, R.S.2
-
66
-
-
0000218460
-
- transition in molecular oxygen: Interpretation of solvent effects on spectral shifts
-
- transition in molecular oxygen: Interpretation of solvent effects on spectral shifts. J. Phys. Chem. A 103, 3418-3422.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 3418-3422
-
-
Poulsen, T.D.1
Ogilby, P.R.2
Mikkelsen, K.V.3
-
68
-
-
36849099988
-
Why is condensed oxygen blue?
-
Tsai, S. C. and G. W. Robinson (1969) Why is condensed oxygen blue? J. Chem. Phys. 51, 3559-3568.
-
(1969)
J. Chem. Phys.
, vol.51
, pp. 3559-3568
-
-
Tsai, S.C.1
Robinson, G.W.2
-
69
-
-
36849104490
-
Intensity enhancement of forbidden electronic transitions by weak intermolecular interactions
-
Robinson, G. W. (1967) Intensity enhancement of forbidden electronic transitions by weak intermolecular interactions. J. Chem. Phys. 46, 572-585.
-
(1967)
J. Chem. Phys.
, vol.46
, pp. 572-585
-
-
Robinson, G.W.1
-
70
-
-
0342599942
-
Simultaneous and induced electronic transitions in oxygen
-
Krishna, V. G. (1969) Simultaneous and induced electronic transitions in oxygen. J. Chem. Phys. 50, 792-799.
-
(1969)
J. Chem. Phys.
, vol.50
, pp. 792-799
-
-
Krishna, V.G.1
-
71
-
-
84961980477
-
Quantum mechanical continuum solvation models
-
Tomasi, J., B. Mennucci and R. Cammi (2005) Quantum mechanical continuum solvation models. Chem. Rev. 105, 2999-3093.
-
(2005)
Chem. Rev.
, vol.105
, pp. 2999-3093
-
-
Tomasi, J.1
Mennucci, B.2
Cammi, R.3
-
72
-
-
0000435423
-
Quadratic response of molecules in a nonequilibrium and equilibrium solvation model: Generalizations to include both singlet and triplet perturbations
-
Poulsen, T. D., P. R. Ogilby and K. V. Mikkelsen (1999) Quadratic response of molecules in a nonequilibrium and equilibrium solvation model: Generalizations to include both singlet and triplet perturbations. J. Chem. Phys. 111, 2678-2685.
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 2678-2685
-
-
Poulsen, T.D.1
Ogilby, P.R.2
Mikkelsen, K.V.3
-
73
-
-
0032184698
-
Nonlinear optical response of molecules in a nonequilibrium solvation model
-
Sylvester-Hvid, K. O., K. V. Mikkelsen, D. Jonsson, P. Norman and H. Ågren (1998) Nonlinear optical response of molecules in a nonequilibrium solvation model. J. Chem. Phys. 109, 5576-5584.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 5576-5584
-
-
Sylvester-Hvid, K.O.1
Mikkelsen, K.V.2
Jonsson, D.3
Norman, P.4
Ågren, H.5
-
74
-
-
0001318690
-
Radiative transitions of singlet oxygen: New tools, new techniques, and new interpretations
-
Keszthelyi, T., D. Weldon, T. N. Andersen, T. D. Poulsen, K. V. Mikkelsen and P. R. Ogilby (1999) Radiative transitions of singlet oxygen: New tools, new techniques, and new interpretations. Photochem. Photobiol. 70, 531-539.
-
(1999)
Photochem. Photobiol.
, vol.70
, pp. 531-539
-
-
Keszthelyi, T.1
Weldon, D.2
Andersen, T.N.3
Poulsen, T.D.4
Mikkelsen, K.V.5
Ogilby, P.R.6
-
75
-
-
0035828026
-
The combined multiconfigurational self-consistent-field/molecular mechanics wave function approach
-
Poulsen, T. D., J. Kongsted, A. Osted, P. R. Ogilby and K. V. Mikkelsen (2001) The combined multiconfigurational self-consistent-field/molecular mechanics wave function approach. J. Chem. Phys. 115, 2393-2400.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 2393-2400
-
-
Poulsen, T.D.1
Kongsted, J.2
Osted, A.3
Ogilby, P.R.4
Mikkelsen, K.V.5
-
76
-
-
0035504573
-
A quantum mechanical method for calculating nonlinear optical properties of condensed phase molecules coupled to a molecular mechanics field: A quadratic multiconfigurational self-consistent-field/molecular mechanics method
-
Poulsen, T. D., P. R. Ogilby and K. V. Mikkelsen (2001) A quantum mechanical method for calculating nonlinear optical properties of condensed phase molecules coupled to a molecular mechanics field: A quadratic multiconfigurational self-consistent-field/molecular mechanics method. J. Chem. Phys. 115, 7843-7851.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 7843-7851
-
-
Poulsen, T.D.1
Ogilby, P.R.2
Mikkelsen, K.V.3
-
77
-
-
0036492218
-
Linear response properties for solvated molecules described by a combined multiconfigurational self-consistent field/molecular mechanics model
-
Poulsen, T. D., P. R. Ogilby and K. V. Mikkelsen (2002) Linear response properties for solvated molecules described by a combined multiconfigurational self-consistent field/molecular mechanics model. J. Chem. Phys. 116, 3730-3738.
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 3730-3738
-
-
Poulsen, T.D.1
Ogilby, P.R.2
Mikkelsen, K.V.3
-
78
-
-
9744232159
-
Solvent effects on the n to π* electronic transition in formaldehyde: A combined coupled-cluster/molecular dynamics study
-
Kongsted, J., A. Osted, K. V. Mikkelsen, P.-O. Åstrand and O. Christiansen (2004) Solvent effects on the n to π* electronic transition in formaldehyde: A combined coupled-cluster/molecular dynamics study. J. Chem. Phys. 121, 8435-8445.
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 8435-8445
-
-
Kongsted, J.1
Osted, A.2
Mikkelsen, K.V.3
Åstrand, P.-O.4
Christiansen, O.5
-
79
-
-
37049051916
-
Magnetic perturbation of singlet-triplet transitions. Part V. Mechanism
-
Evans, D. F. (1961) Magnetic perturbation of singlet-triplet transitions. Part V. Mechanism. J. Chem. Soc. 1987-1993.
-
(1961)
J. Chem. Soc.
, pp. 1987-1993
-
-
Evans, D.F.1
-
80
-
-
0003043644
-
The effect of paramagnetic molecules on the intensity of spin-forbidden absorption bands of aromatic molecules
-
Murrell, J. N. (1960) The effect of paramagnetic molecules on the intensity of spin-forbidden absorption bands of aromatic molecules. Mol. Phys. 3, 319-329.
-
(1960)
Mol. Phys.
, vol.3
, pp. 319-329
-
-
Murrell, J.N.1
-
81
-
-
0038322621
-
Physical mechanisms of generation and deactivation of singlet oxygen
-
Schweitzer, C. and R. Schmidt (2003) Physical mechanisms of generation and deactivation of singlet oxygen. Chem. Rev. 103, 1685-1757.
-
(2003)
Chem. Rev.
, vol.103
, pp. 1685-1757
-
-
Schweitzer, C.1
Schmidt, R.2
-
82
-
-
0000586380
-
Solvent effects on the oxygen-organic molecule charge-transfer absorption
-
Kuriyama, Y., P. R. Ogilby and K. V. Mikkelsen (1994) Solvent effects on the oxygen-organic molecule charge-transfer absorption. J. Phys. Chem. 98, 11918-11923.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11918-11923
-
-
Kuriyama, Y.1
Ogilby, P.R.2
Mikkelsen, K.V.3
-
83
-
-
36849111805
-
Role of singlet excited states of molecular oxygen in the quenching of organic triplet states
-
Kawaoka, K., A. U. Khan and D. R. Kearns (1967) Role of singlet excited states of molecular oxygen in the quenching of organic triplet states. J. Chem. Phys. 46, 1842-1853.
-
(1967)
J. Chem. Phys.
, vol.46
, pp. 1842-1853
-
-
Kawaoka, K.1
Khan, A.U.2
Kearns, D.R.3
-
84
-
-
0008457944
-
Erratum: Role of singlet excited states of molecular oxygen in the quenching of organic triplet states
-
Kawaoka, K., A. U. Khan and D. R. Kearns (1967) Erratum: Role of singlet excited states of molecular oxygen in the quenching of organic triplet states. J. Chem. Phys. 47, 1883-1884.
-
(1967)
J. Chem. Phys.
, vol.47
, pp. 1883-1884
-
-
Kawaoka, K.1
Khan, A.U.2
Kearns, D.R.3
-
85
-
-
36849098961
-
Energetics of the interaction of molecular oxygen with organic molecules
-
Khan, A. U. and D. R. Kearns (1968) Energetics of the interaction of molecular oxygen with organic molecules. J. Chem. Phys. 48, 3272-3275.
-
(1968)
J. Chem. Phys.
, vol.48
, pp. 3272-3275
-
-
Khan, A.U.1
Kearns, D.R.2
-
87
-
-
0000151772
-
Van der Waals and charge-transfer complexes of molecular oxygen and water
-
Byers Brown, W., M. A. Vincent, K. Trollope and I. H. Hillier (1992) Van der Waals and charge-transfer complexes of molecular oxygen and water. Chem. Phys. Lett. 192, 213-216.
-
(1992)
Chem. Phys. Lett.
, vol.192
, pp. 213-216
-
-
Byers Brown, W.1
Vincent, M.A.2
Trollope, K.3
Hillier, I.H.4
-
88
-
-
0000372770
-
Complexes of oxygen with benzene and hexafluorobenzene
-
Grover, J. R., G. Hagenow and E. A. Walters (1992) Complexes of oxygen with benzene and hexafluorobenzene. J. Chem. Phys. 97, 628-642.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 628-642
-
-
Grover, J.R.1
Hagenow, G.2
Walters, E.A.3
-
89
-
-
0004709372
-
2 interaction potential from ab initio calculations
-
2 interaction potential from ab initio calculations. Chem. Phys. Lett. 205, 331-336.
-
(1993)
Chem. Phys. Lett.
, vol.205
, pp. 331-336
-
-
Granucci, G.1
Persico, M.2
-
91
-
-
0000121022
-
4 exciplex: Collision-induced probabilities of spin-forbidden radiative and non-radiative transitions
-
4 exciplex: Collision-induced probabilities of spin-forbidden radiative and non-radiative transitions. J. Chem. Soc. Faraday Trans. 90, 1479-1486.
-
(1994)
J. Chem. Soc. Faraday Trans.
, vol.90
, pp. 1479-1486
-
-
Minaev, B.F.1
Kukueva, V.V.2
Ågren, H.3
-
92
-
-
0040600502
-
Collision-induced electronic transitions in complexes between benzene and molecular oxygen
-
Minaev, B. F., K. V. Mikkelsen and H. Ågren (1997) Collision-induced electronic transitions in complexes between benzene and molecular oxygen. Chem. Phys. 220, 79-94.
-
(1997)
Chem. Phys.
, vol.220
, pp. 79-94
-
-
Minaev, B.F.1
Mikkelsen, K.V.2
Ågren, H.3
-
95
-
-
0001486038
-
Thermochemistry of the gas phase molecular complex of benzene with oxygen
-
Casero, J. J. and J. A. Joens (1997) Thermochemistry of the gas phase molecular complex of benzene with oxygen. J. Phys. Chem. A 101, 2607-2609.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 2607-2609
-
-
Casero, J.J.1
Joens, J.A.2
-
96
-
-
0043225194
-
Thermochemistry of gas-phase molecular complexes of fluorobenzene and toluene with oxygen
-
Casero, J. J. and J. A. Joens (1999) Thermochemistry of gas-phase molecular complexes of fluorobenzene and toluene with oxygen. J. Phys. Chem. A 103, 7136-7138.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 7136-7138
-
-
Casero, J.J.1
Joens, J.A.2
-
97
-
-
0005447103
-
Theory of electronic energy relaxation in the solid phase
-
Robinson, G. W. and R. P. Frosch (1962) Theory of electronic energy relaxation in the solid phase. J. Chem. Phys. 37, 1962-1973.
-
(1962)
J. Chem. Phys.
, vol.37
, pp. 1962-1973
-
-
Robinson, G.W.1
Frosch, R.P.2
-
98
-
-
36849124302
-
Electronic excitation transfer and relaxation
-
Robinson, G. W. and R. P. Frosch (1963) Electronic excitation transfer and relaxation. J. Chem. Phys. 38, 1187-1203.
-
(1963)
J. Chem. Phys.
, vol.38
, pp. 1187-1203
-
-
Robinson, G.W.1
Frosch, R.P.2
-
100
-
-
0345818086
-
Radiationless decay of singlet molecular oxygen in solution. An experimental and theoretical study of electronic-to-vibrational energy transfer
-
Merkel, P. B. and D. R. Kearns (1972) Radiationless decay of singlet molecular oxygen in solution. An experimental and theoretical study of electronic-to-vibrational energy transfer. J. Am. Chem. Soc. 94, 7244-7253.
-
(1972)
J. Am. Chem. Soc.
, vol.94
, pp. 7244-7253
-
-
Merkel, P.B.1
Kearns, D.R.2
-
101
-
-
0001039093
-
Singlet sigma: The "other" singlet oxygen in solution
-
Weldon, D., T. D. Poulsen, K. V. Mikkelsen and P. R. Ogilby (1999) Singlet sigma: The "other" singlet oxygen in solution. Photochem. Photobiol. 70, 369-379.
-
(1999)
Photochem. Photobiol.
, vol.70
, pp. 369-379
-
-
Weldon, D.1
Poulsen, T.D.2
Mikkelsen, K.V.3
Ogilby, P.R.4
-
102
-
-
33750817192
-
Theoretical and experimental study of the quenching of singlet oxygen by solvent
-
Lin, Y. Y., Z. T. Chu and S. H. Lin (1988) Theoretical and experimental study of the quenching of singlet oxygen by solvent. J. Photochem. Photobiol. A: Chem. 44, 229-242.
-
(1988)
J. Photochem. Photobiol. A: Chem.
, vol.44
, pp. 229-242
-
-
Lin, Y.Y.1
Chu, Z.T.2
Lin, S.H.3
-
103
-
-
0001380974
-
Solvent shift of singlet oxygen emission wavelength
-
Bromberg, A. and C. S. Foote (1989) Solvent shift of singlet oxygen emission wavelength. J. Phys. Chem 93, 3968-3969.
-
(1989)
J. Phys. Chem
, vol.93
, pp. 3968-3969
-
-
Bromberg, A.1
Foote, C.S.2
-
105
-
-
0032539193
-
Time-resolved absorption spectrum of singlet oxygen in solution
-
Weldon, D. and P. R. Ogilby (1998) Time-resolved absorption spectrum of singlet oxygen in solution. J. Am. Chem. Soc. 120, 12978-12979.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 12978-12979
-
-
Weldon, D.1
Ogilby, P.R.2
-
107
-
-
0037153265
-
2O: Enabling the test of a model for the effect of solvent on oxygen's radiative transitions
-
2O: Enabling the test of a model for the effect of solvent on oxygen's radiative transitions. J. Phys. Chem. A. 106, 11064-11069.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 11064-11069
-
-
Andersen, L.K.1
Ogilby, P.R.2
-
108
-
-
0032817121
-
Solvent effects on the radiative transitions of singlet oxygen
-
Ogilby, P. R. (1999) Solvent effects on the radiative transitions of singlet oxygen. Acc. Chem. Res. 32, 512-519.
-
(1999)
Acc. Chem. Res.
, vol.32
, pp. 512-519
-
-
Ogilby, P.R.1
-
110
-
-
33846187357
-
The influence of intermolecular interaction on the forbidden near-IR transitions in molecular oxygen
-
Minaev, B. F., S. Lunell and G. I. Kobzev (1993) The influence of intermolecular interaction on the forbidden near-IR transitions in molecular oxygen. J. Mol. Struct. (Theochem.) 284, 1-9.
-
(1993)
J. Mol. Struct. (Theochem.)
, vol.284
, pp. 1-9
-
-
Minaev, B.F.1
Lunell, S.2
Kobzev, G.I.3
-
111
-
-
0242271888
-
Response calculations of electronic and vibrational transitions in molecular oxygen induced by interaction with noble gases
-
Minaev, B. F. and G. I. Kobzev (2003) Response calculations of electronic and vibrational transitions in molecular oxygen induced by interaction with noble gases. Spectrochim. Acta A. 59, 3387-3410.
-
(2003)
Spectrochim. Acta A
, vol.59
, pp. 3387-3410
-
-
Minaev, B.F.1
Kobzev, G.I.2
-
119
-
-
84889533712
-
Rate constants for the decay and reactions of the lowest electronically excited singlet state of molecular oxygen in solution. An expanded and revised compilation
-
Wilkinson, F., W. P. Helman and A. B. Ross (1995) Rate constants for the decay and reactions of the lowest electronically excited singlet state of molecular oxygen in solution. An expanded and revised compilation. J. Phys. Chem. Ref. Data 24, 663-1021.
-
(1995)
J. Phys. Chem. Ref. Data
, vol.24
, pp. 663-1021
-
-
Wilkinson, F.1
Helman, W.P.2
Ross, A.B.3
-
124
-
-
0042874555
-
g oxygen molecules in sensitized photooxygenations
-
g oxygen molecules in sensitized photooxygenations. Adv. Chem. Sci: 77, 143-165.
-
(1968)
Adv. Chem. Sci
, vol.77
, pp. 143-165
-
-
Khan, A.U.1
Kearns, D.R.2
-
125
-
-
0041647492
-
Intracavity dye laser photoactivation of chemical reactions
-
Reddy, K. V. and M. J. Berry (1978) Intracavity dye laser photoactivation of chemical reactions. J. Opt. Soc. Am. 68, 694.
-
(1978)
J. Opt. Soc. Am.
, vol.68
, pp. 694
-
-
Reddy, K.V.1
Berry, M.J.2
-
126
-
-
0000913128
-
Photosensitized oxygenations and the role of singlet oxygen
-
Foote, C. S. (1968) Photosensitized oxygenations and the role of singlet oxygen. Acc. Chem. Res. 1, 104-110.
-
(1968)
Acc. Chem. Res.
, vol.1
, pp. 104-110
-
-
Foote, C.S.1
-
127
-
-
33748241758
-
The Schenck ene reaction: Diastereoselective oxyfunctionalization with singlet oxygen in synthetic applications
-
Prein, M. and W. Adam (1996) The Schenck ene reaction: Diastereoselective oxyfunctionalization with singlet oxygen in synthetic applications. Angew. Chem. Int. Ed. 35, 477-494.
-
(1996)
Angew. Chem. Int. Ed.
, vol.35
, pp. 477-494
-
-
Prein, M.1
Adam, W.2
-
128
-
-
0034680706
-
New mechanistic and synthetic aspects of singlet oxygen chemistry
-
Clennan, E. L. (2000) New mechanistic and synthetic aspects of singlet oxygen chemistry. Tetrahedron 56, 9151-9179.
-
(2000)
Tetrahedron
, vol.56
, pp. 9151-9179
-
-
Clennan, E.L.1
-
129
-
-
20444464941
-
Advances in singlet oxygen chemistry
-
Clennan, E. L. and A. Pace (2005) Advances in singlet oxygen chemistry. Tetrahedron 61, 6665-6691.
-
(2005)
Tetrahedron
, vol.61
, pp. 6665-6691
-
-
Clennan, E.L.1
Pace, A.2
-
130
-
-
0003404419
-
Selection rules for singlet-oxygen reactions. Concerted addition reactions
-
Kearns, D. R. (1969) Selection rules for singlet-oxygen reactions. Concerted addition reactions. J. Am. Chem. Soc. 91, 6554-6563.
-
(1969)
J. Am. Chem. Soc.
, vol.91
, pp. 6554-6563
-
-
Kearns, D.R.1
-
131
-
-
0000934374
-
On the mechanism of photooxygenation reactions. Computational evidence against the diradical mechanism of singlet oxygen ene reactions
-
Yamaguchi, K., S. Yabushita, T. Fueno and K. N. Houk (1981) On the mechanism of photooxygenation reactions. Computational evidence against the diradical mechanism of singlet oxygen ene reactions. J. Am. Chem. Soc. 103, 5043-5046.
-
(1981)
J. Am. Chem. Soc.
, vol.103
, pp. 5043-5046
-
-
Yamaguchi, K.1
Yabushita, S.2
Fueno, T.3
Houk, K.N.4
-
133
-
-
0001215174
-
Hetero-Diels-Alder reaction transition structures: Reactivity, stereoselectivity, catalysis, solvent effects, and the exo-lone-pair effect
-
McCarrick, M. A., Y.-D. Wu and K. N. Houk (1993) Hetero-Diels-Alder reaction transition structures: Reactivity, stereoselectivity, catalysis, solvent effects, and the exo-lone-pair effect. J. Org. Chem. 58, 3330-3343.
-
(1993)
J. Org. Chem.
, vol.58
, pp. 3330-3343
-
-
McCarrick, M.A.1
Wu, Y.-D.2
Houk, K.N.3
-
134
-
-
0034734369
-
CAS MCSCF/CAS MCQDPT2 Study of the mechanism of singlet oxygen addition to 1,3-butadiene and benzene
-
Bobrowski, M., A. Liwo, S. Oldziej, D. Jeziorek and T. Ossowski (2000) CAS MCSCF/CAS MCQDPT2 Study of the mechanism of singlet oxygen addition to 1,3-butadiene and benzene. J. Am. Chem. Soc. 122, 8112-8119.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 8112-8119
-
-
Bobrowski, M.1
Liwo, A.2
Oldziej, S.3
Jeziorek, D.4
Ossowski, T.5
-
135
-
-
0034814448
-
Reactions of 1,3-cyclohexadiene with singlet oxygen. A theoretical study
-
Sevin, F. and M. L. McKee (2001) Reactions of 1,3-cyclohexadiene with singlet oxygen. A theoretical study. J. Am. Chem. Soc. 123, 4591-4600.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 4591-4600
-
-
Sevin, F.1
McKee, M.L.2
-
138
-
-
0033996913
-
g dioxygen with ethene, methyl vinyl ether, and butadiene: A density functional and multireference perturbation theory study
-
g dioxygen with ethene, methyl vinyl ether, and butadiene: A density functional and multireference perturbation theory study. J. Am. Chem. Soc. 122, 1414-1423.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 1414-1423
-
-
Maranzana, A.1
Ghigo, G.2
Tonachini, G.3
-
139
-
-
0036263485
-
Diels-Alder and ene reactions of singlet oxygen, nitroso compounds and triazolinediones: Transition states and mechanisms from contemporary theory
-
Leach, A. G. and K. N. Houk (2002) Diels-Alder and ene reactions of singlet oxygen, nitroso compounds and triazolinediones: Transition states and mechanisms from contemporary theory. Chem. Commun. 1243-1255.
-
(2002)
Chem. Commun.
, pp. 1243-1255
-
-
Leach, A.G.1
Houk, K.N.2
-
140
-
-
0037419851
-
Mechanism of ene reactions of singlet oxygen. A two-step no-intermediate mechanism
-
Singleton, D. A., C. Hang, M. J. Szymanski, M. P. Meyer, A. G. Leach, K. T. Kuwata, J. S. Chen, A. Greer, C. S. Foote and K. N. Houk (2003) Mechanism of ene reactions of singlet oxygen. A two-step no-intermediate mechanism. J. Am. Chem. Soc. 125, 1319-1328.
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 1319-1328
-
-
Singleton, D.A.1
Hang, C.2
Szymanski, M.J.3
Meyer, M.P.4
Leach, A.G.5
Kuwata, K.T.6
Chen, J.S.7
Greer, A.8
Foote, C.S.9
Houk, K.N.10
-
141
-
-
5644273803
-
Variational transition state theory as a tool to determine kinetic selectivity in reactions involving a valley-ridge inflection point
-
Gonzalez-Lafont, A., M. Moreno and J. M. Lluch (2004) Variational transition state theory as a tool to determine kinetic selectivity in reactions involving a valley-ridge inflection point. J. Am. Chem. Soc. 126, 13089-13094.
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 13089-13094
-
-
Gonzalez-Lafont, A.1
Moreno, M.2
Lluch, J.M.3
-
142
-
-
0002393586
-
Theoretical aspects of the reaction of organic sulfur and phosphorous compounds with singlet oxygen
-
(Edited by A. L. Baumstark), JAI Press, Greenwich, CT
-
Jensen, F. (1995) Theoretical aspects of the reaction of organic sulfur and phosphorous compounds with singlet oxygen. In Advances in Oxygenated Processes, Vol. 4 (Edited by A. L. Baumstark), pp. 1-48. JAI Press, Greenwich, CT.
-
(1995)
Advances in Oxygenated Processes
, vol.4
, pp. 1-48
-
-
Jensen, F.1
-
143
-
-
33947292873
-
Chemistry of singlet oxygen. XIV. Reactive intermediate in sulfide photooxidation
-
Foote, C. S. and J. W. Peters (1971) Chemistry of singlet oxygen. XIV. Reactive intermediate in sulfide photooxidation. J. Am. Chem. Soc. 93, 3795-3796.
-
(1971)
J. Am. Chem. Soc.
, vol.93
, pp. 3795-3796
-
-
Foote, C.S.1
Peters, J.W.2
-
144
-
-
0032513702
-
Reaction of organic sulfides with singlet oxygen. A revised mechanism
-
Jensen, F., A. Greer and E. L. Clennan (1998) Reaction of organic sulfides with singlet oxygen. A revised mechanism. J. Am. Chem. Soc. 120, 4439-4449.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 4439-4449
-
-
Jensen, F.1
Greer, A.2
Clennan, E.L.3
-
145
-
-
10844232947
-
Calculation of excited-state properties using general coupled-cluster and configuration-interaction models
-
Kallay, M. and J. Gauss (2004) Calculation of excited-state properties using general coupled-cluster and configuration-interaction models. J. Chem. Phys. 121, 9257-9269.
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 9257-9269
-
-
Kallay, M.1
Gauss, J.2
-
147
-
-
0037473489
-
Implementation of a general multireference configuration interaction procedure with analytic gradients in a semiempirical context using the graphical unitray group approach
-
Koslowski, A., M. E. Beck and W. Thiel (2003) Implementation of a general multireference configuration interaction procedure with analytic gradients in a semiempirical context using the graphical unitray group approach. J. Comp. Chem. 24, 714-726.
-
(2003)
J. Comp. Chem.
, vol.24
, pp. 714-726
-
-
Koslowski, A.1
Beck, M.E.2
Thiel, W.3
-
148
-
-
1442306230
-
A second quantization formulation of multi-mode dynamics
-
Christiansen, O. (2004) A second quantization formulation of multi-mode dynamics. J. Chem. Phys. 120, 2140-2148.
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 2140-2148
-
-
Christiansen, O.1
-
149
-
-
1442331124
-
Vibrational coupled-cluster theory
-
Christiansen, O. (2004) Vibrational coupled-cluster theory. J. Chem. Phys. 120, 2149-2159.
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 2149-2159
-
-
Christiansen, O.1
-
150
-
-
21444433510
-
Response theory for vibrational wavefunctions
-
Christiansen, O. (2005) Response theory for vibrational wavefunctions. J. Chem. Phys. 122, 194105.
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 194105
-
-
Christiansen, O.1
-
151
-
-
24144442662
-
Synthesis and characterization of water-soluble phenylene-vinylene-based singlet oxygen sensitizers for two-photon excitation
-
Nielsen, C. B., M. Johnsen, J. Arnbjerg, M. Pittelkow, S. P. McIlroy, P. R. Ogilby and M. Jørgensen (2005) Synthesis and characterization of water-soluble phenylene-vinylene-based singlet oxygen sensitizers for two-photon excitation. J. Org. Chem. 70, 7065-7079.
-
(2005)
J. Org. Chem.
, vol.70
, pp. 7065-7079
-
-
Nielsen, C.B.1
Johnsen, M.2
Arnbjerg, J.3
Pittelkow, M.4
McIlroy, S.P.5
Ogilby, P.R.6
Jørgensen, M.7
-
152
-
-
12144270416
-
Two-photon photosensitized production of singlet oxygen in water
-
Frederiksen, P. K., S. P. McIlroy, C. B. Nielsen, L. Nikolajsen, E. Skovsen, M. Jørgensen, K. V. Mikkelsen and P. R. Ogilby (2005) Two-photon photosensitized production of singlet oxygen in water. J. Am. Chem. Soc. 127, 255-269.
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 255-269
-
-
Frederiksen, P.K.1
McIlroy, S.P.2
Nielsen, C.B.3
Nikolajsen, L.4
Skovsen, E.5
Jørgensen, M.6
Mikkelsen, K.V.7
Ogilby, P.R.8
-
153
-
-
0035961103
-
Two-photon singlet oxygen sensitizers: Quantifying, modeling, and optimizing the two-photon absorption cross section
-
Poulsen, T. D., P. K. Frederiksen, M. Jørgensen, K. V. Mikkelsen and P. R. Ogilby (2001) Two-photon singlet oxygen sensitizers: Quantifying, modeling, and optimizing the two-photon absorption cross section. J. Phys. Chem. A 105, 11488-11495.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 11488-11495
-
-
Poulsen, T.D.1
Frederiksen, P.K.2
Jørgensen, M.3
Mikkelsen, K.V.4
Ogilby, P.R.5
-
154
-
-
0035857466
-
Two-photon photosensitized production of singlet oxygen
-
Frederiksen, P. K., M. Jørgensen and P. R. Ogilby (2001) Two-photon photosensitized production of singlet oxygen. J. Am. Chem. Soc. 123, 1215-1221.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 1215-1221
-
-
Frederiksen, P.K.1
Jørgensen, M.2
Ogilby, P.R.3
-
155
-
-
18744397861
-
Photosensitization of singlet oxygen via two-photon-excited fluorescence resonance energy transfer in a water-soluble dendrimer
-
Oar, M. A., J. M. Serin, W. R. Dichtel, J. M. J. Fréchet, T. Y. Ohulchanskyy and P. N. Prasad (2005) Photosensitization of singlet oxygen via two-photon-excited fluorescence resonance energy transfer in a water-soluble dendrimer. Chem. Mater. 17, 2267-2275.
-
(2005)
Chem. Mater.
, vol.17
, pp. 2267-2275
-
-
Oar, M.A.1
Serin, J.M.2
Dichtel, W.R.3
Fréchet, J.M.J.4
Ohulchanskyy, T.Y.5
Prasad, P.N.6
-
156
-
-
18144397249
-
Extremely strong near-IR two-photon absorption in conjugated porphyrin dimers: Quantitative description with three-essential-states model
-
Drobizhev, M., Y. Stepanenko, Y. Dzenis, A. Karotki, A. Rebane, P. N. Taylor and H. L. Anderson (2005) Extremely strong near-IR two-photon absorption in conjugated porphyrin dimers: Quantitative description with three-essential-states model. J. Phys. Chem. B 109, 7223-7236.
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 7223-7236
-
-
Drobizhev, M.1
Stepanenko, Y.2
Dzenis, Y.3
Karotki, A.4
Rebane, A.5
Taylor, P.N.6
Anderson, H.L.7
-
157
-
-
0035827209
-
Effects of pi centers and symmetry on two-photon absorption cross sections of organic chromophores
-
Wang, C.-K., P. Macak, Y. Luo and H. Ågren (2001) Effects of pi centers and symmetry on two-photon absorption cross sections of organic chromophores. J. Chem. Phys. 114, 9813-9820.
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 9813-9820
-
-
Wang, C.-K.1
Macak, P.2
Luo, Y.3
Ågren, H.4
-
158
-
-
0003148455
-
Mechanisms for enhancement of two-photon absorption in donor-acceptor conjugated chromophores
-
Kogej, T., D. Beljonne, F. Meyers, J. W. Perry, S. R. Marder and J. L. Brédas (1998) Mechanisms for enhancement of two-photon absorption in donor-acceptor conjugated chromophores. Chem. Phys. Lett. 298, 1-6.
-
(1998)
Chem. Phys. Lett.
, vol.298
, pp. 1-6
-
-
Kogej, T.1
Beljonne, D.2
Meyers, F.3
Perry, J.W.4
Marder, S.R.5
Brédas, J.L.6
-
159
-
-
0001370494
-
A theoretical analysis of the two-photon properties of linear polyenes and the visual chromophores
-
Birge, R. R. and B. M. Pierce (1979) A theoretical analysis of the two-photon properties of linear polyenes and the visual chromophores. J. Chem. Phys. 70, 165-178.
-
(1979)
J. Chem. Phys.
, vol.70
, pp. 165-178
-
-
Birge, R.R.1
Pierce, B.M.2
-
161
-
-
15744375697
-
-
Gaussian Inc., Wallingford CT
-
Frisch, M. J., G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Kiene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez and J. A. Pople (2004) Gaussian 03, Revision C.02. Gaussian Inc., Wallingford CT.
-
(2004)
Gaussian 03, Revision C.02
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery Jr., J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Kiene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.W.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, A.G.62
Clifford, S.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.66
Liashenko, A.67
Piskorz, P.68
Komaromi, I.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al-Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, P.M.W.77
Johnson, B.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
Pople, J.A.82
more..
-
162
-
-
33750449552
-
-
Semichem Inc., Shawnee Mission, KS
-
Dennington, R., II, T. Keith, J. Millam, K. Eppinnett, W. L. Hovell and R. Gilliland (2003) GaussView, Version 3.09. Semichem Inc., Shawnee Mission, KS.
-
(2003)
GaussView, Version 3.09
-
-
Dennington II, R.1
Keith, T.2
Millam, J.3
Eppinnett, K.4
Hovell, W.L.5
Gilliland, R.6
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