-
1
-
-
33845235270
-
From industrial colorants to single photon sources and biolabels: The fascination and function of rylene dyes
-
Herrmann, A.; Mullen, K. From industrial colorants to single photon sources and biolabels: The fascination and function of rylene dyes Chem. Lett. 2006, 35, 978-985
-
(2006)
Chem. Lett.
, vol.35
, pp. 978-985
-
-
Herrmann, A.1
Mullen, K.2
-
2
-
-
33750012816
-
Pentarylene-and Hexarylenebis(dicarboximide)s: Near-infrared-absorbing polyaromatic Dyes
-
Pschirer, N. G.; Kohl, C.; Nolde, F.; Qu, J.; Müllen, K. Pentarylene-and Hexarylenebis(dicarboximide)s: Near-infrared-absorbing polyaromatic Dyes Angew. Chem. 2006, 118, 1429-1432
-
(2006)
Angew. Chem.
, vol.118
, pp. 1429-1432
-
-
Pschirer, N.G.1
Kohl, C.2
Nolde, F.3
Qu, J.4
Müllen, K.5
-
3
-
-
33646557858
-
-
Angew. Chem., Int. Ed. 2006, 45, 1401-1404.
-
(2006)
Angew. Chem., Int. Ed.
, vol.45
, pp. 1401-1404
-
-
-
4
-
-
70349290844
-
Bisanthracene bis(dicarboxylic imide)s as soluble and stable NIR dyes
-
Yao, J. H.; Chi, C.; Wu, J.; Loh, K.-P. Bisanthracene bis(dicarboxylic imide)s as soluble and stable NIR dyes Chem.-Eur. J. 2009, 15, 9299-9302
-
(2009)
Chem. -Eur. J.
, vol.15
, pp. 9299-9302
-
-
Yao, J.H.1
Chi, C.2
Wu, J.3
Loh, K.-P.4
-
6
-
-
0037711396
-
Photodynamic therapy for cancer
-
Dolmans, D. E.; Fukumura, D.; Jain, R. K. Photodynamic therapy for cancer Nat. Rev. Cancer 2003, 3, 380-387
-
(2003)
Nat. Rev. Cancer
, vol.3
, pp. 380-387
-
-
Dolmans, D.E.1
Fukumura, D.2
Jain, R.K.3
-
7
-
-
13644263744
-
Photosensitizers in clinical PDT
-
Allison, R. D.; Downie, G. H.; Cuenca, R.; Hu, X.; Childs, C. J. H.; Sibata, C. H. Photosensitizers in clinical PDT Photodiagn. Photodyn. Ther. 2004, 1, 27-42
-
(2004)
Photodiagn. Photodyn. Ther.
, vol.1
, pp. 27-42
-
-
Allison, R.D.1
Downie, G.H.2
Cuenca, R.3
Hu, X.4
Childs, C.J.H.5
Sibata, C.H.6
-
8
-
-
34247635513
-
Porphycenes: Facts and prospects in photodynamic therapy of cancer
-
Stockert, J. C.; Cañete, M.; Juarranz, A.; Villanueva, A.; Horobin, R. W.; Borrell, J. I.; Teixidó, J.; Nonell, S. Porphycenes: Facts and prospects in photodynamic therapy of cancer Curr. Med. Chem. 2007, 14, 997-1026
-
(2007)
Curr. Med. Chem.
, vol.14
, pp. 997-1026
-
-
Stockert, J.C.1
Cañete, M.2
Juarranz, A.3
Villanueva, A.4
Horobin, R.W.5
Borrell, J.I.6
Teixidó, J.7
Nonell, S.8
-
9
-
-
0032540701
-
Photodynamic therapy
-
Dougherty, T. J.; Gomer, C. J.; Henderson, B. W.; Jori, G.; Kessel, D.; Korbelik, M.; Moan, J.; Peng, Q. Photodynamic therapy J. Natl. Cancer Inst. 1998, 90, 889-905
-
(1998)
J. Natl. Cancer Inst.
, vol.90
, pp. 889-905
-
-
Dougherty, T.J.1
Gomer, C.J.2
Henderson, B.W.3
Jori, G.4
Kessel, D.5
Korbelik, M.6
Moan, J.7
Peng, Q.8
-
11
-
-
36549011339
-
Milestones in the development of photodynamic therapy and fluorescence diagnosis
-
Juzeniene, A.; Peng, Q.; Moan, J. Milestones in the development of photodynamic therapy and fluorescence diagnosis J. Photochem. Photobiol. Sci. 2007, 6, 1234-1245
-
(2007)
J. Photochem. Photobiol. Sci.
, vol.6
, pp. 1234-1245
-
-
Juzeniene, A.1
Peng, Q.2
Moan, J.3
-
12
-
-
0030174907
-
Photodynamic therapy: A promising new modality for the treatment of cancer
-
Schuitmaker, J. J.; Baas, P.; van Leengoed, H. L. L. M.; van der Meulen, F. W.; Star, W. M.; van Zandwijk, N. Photodynamic therapy: a promising new modality for the treatment of cancer J. Photochem. Photobiol., B 1996, 34, 3-12
-
(1996)
J. Photochem. Photobiol., B
, vol.34
, pp. 3-12
-
-
Schuitmaker, J.J.1
Baas, P.2
Van Leengoed, H.L.L.M.3
Van Der Meulen, F.W.4
Star, W.M.5
Van Zandwijk, N.6
-
13
-
-
77952548564
-
Recent developments in photocatalytic water treatment technology: A review
-
Chong, M. N.; Jin, B.; Chow, C. W. K.; Saint, C. Recent developments in photocatalytic water treatment technology: A review Water Res. 2010, 44, 2997-3027
-
(2010)
Water Res.
, vol.44
, pp. 2997-3027
-
-
Chong, M.N.1
Jin, B.2
Chow, C.W.K.3
Saint, C.4
-
14
-
-
77949378578
-
Photocatalytic inactivation of Cryptosporidium parvum on nanostructured titanium dioxide films
-
Sunnotel, O.; Verdoold, R.; Dunlop, P. S. M.; Snelling, W. J.; Lowery, C. J.; Dooley, J. S. G.; Moore, J. E.; Byrne, J. A. Photocatalytic inactivation of Cryptosporidium parvum on nanostructured titanium dioxide films J. Water Health 2010, 8, 83-91
-
(2010)
J. Water Health
, vol.8
, pp. 83-91
-
-
Sunnotel, O.1
Verdoold, R.2
Dunlop, P.S.M.3
Snelling, W.J.4
Lowery, C.J.5
Dooley, J.S.G.6
Moore, J.E.7
Byrne, J.A.8
-
15
-
-
0003453901
-
-
2 nd ed. Van Nostrand Reinhold: New York
-
Herzberg, G. In Spectra of Diatomic Molecules, 2 nd ed.; Van Nostrand Reinhold: New York, 1950; pp 344-346.
-
(1950)
Spectra of Diatomic Molecules
, pp. 344-346
-
-
Herzberg, G.1
-
16
-
-
0000093014
-
Effect of sensitizer heavy atoms on singlet oxygen generation efficiency
-
Darmanyan, A. P.; Foote, C. S. Effect of sensitizer heavy atoms on singlet oxygen generation efficiency J. Phys. Chem. 1992, 96, 3723-3728
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 3723-3728
-
-
Darmanyan, A.P.1
Foote, C.S.2
-
18
-
-
0742271396
-
Research advances in the use of tetrapyrrolic photosensitizers for photodynamic therapy
-
Nyman, E. S.; Hynninen, P. H. Research advances in the use of tetrapyrrolic photosensitizers for photodynamic therapy J. Photochem. Photobiol., B 2004, 73, 1-28
-
(2004)
J. Photochem. Photobiol., B
, vol.73
, pp. 1-28
-
-
Nyman, E.S.1
Hynninen, P.H.2
-
19
-
-
0032560210
-
Porphyrin-based photosensitizers for use in photodynamic therapy
-
Sternberg, E. D.; Dolphin, D.; Bruckner, C. Porphyrin-based photosensitizers for use in photodynamic therapy Tetrahedron 1998, 54, 4151-4202
-
(1998)
Tetrahedron
, vol.54
, pp. 4151-4202
-
-
Sternberg, E.D.1
Dolphin, D.2
Bruckner, C.3
-
20
-
-
0345647380
-
The photodynamic properties of a particular hematoporphyrin derivative
-
Lipson, R. L.; Baldes, E. J. The photodynamic properties of a particular hematoporphyrin derivative Arch. Dermatol. 1960, 82, 508-516
-
(1960)
Arch. Dermatol.
, vol.82
, pp. 508-516
-
-
Lipson, R.L.1
Baldes, E.J.2
-
21
-
-
0030473879
-
Human tissue levels and plasma pharmacokinetics of temoporfin (Foscan, mTHPC)
-
Ronn, A. M.; Nouri, M.; Lofgren, L. A.; Steinberg, B. M.; Westerborn, A.; Windahl, T.; Shikowitz, M. J.; Abramson, A. L. Human tissue levels and plasma pharmacokinetics of temoporfin (Foscan, mTHPC) Lasers Med. Sci. 1996, 11, 267-272
-
(1996)
Lasers Med. Sci.
, vol.11
, pp. 267-272
-
-
Ronn, A.M.1
Nouri, M.2
Lofgren, L.A.3
Steinberg, B.M.4
Westerborn, A.5
Windahl, T.6
Shikowitz, M.J.7
Abramson, A.L.8
-
22
-
-
0030156357
-
Lutetium texaphyrin (PCI-0123): A near-infrared, water-soluble photosensitizer
-
Young, S. W.; Woodburn, K. W.; Wright, M.; Mody, T. D.; Fan, Q.; Sessler, J. L.; Dow, C.; Miller, R. A. Lutetium texaphyrin (PCI-0123): A near-infrared, water-soluble photosensitizer Photochem. Photobiol. 1996, 63, 892-897
-
(1996)
Photochem. Photobiol.
, vol.63
, pp. 892-897
-
-
Young, S.W.1
Woodburn, K.W.2
Wright, M.3
Mody, T.D.4
Fan, Q.5
Sessler, J.L.6
Dow, C.7
Miller, R.A.8
-
23
-
-
0034906224
-
Photodynamic therapy in the canine prostate using motexafin lutetium
-
Hsi, R. A.; Kapatkin, A.; Strandberg, J.; Zhu, T.; Vulcan, T.; Solonenko, M.; Rodriguez, C.; Chang, J.; Saunders, M.; Mason, N.; Hahn, S. Photodynamic therapy in the canine prostate using motexafin lutetium Clin. Cancer Res. 2001, 7, 651-660
-
(2001)
Clin. Cancer Res.
, vol.7
, pp. 651-660
-
-
Hsi, R.A.1
Kapatkin, A.2
Strandberg, J.3
Zhu, T.4
Vulcan, T.5
Solonenko, M.6
Rodriguez, C.7
Chang, J.8
Saunders, M.9
Mason, N.10
Hahn, S.11
-
24
-
-
69649083587
-
Porphyrin and nonporphyrin photosensitizers in oncology: Preclinical and clinical advances in photodynamic therapy
-
O'Connor, A. E.; William, M.; Gallagher, W. M.; Byrne, A. T. Porphyrin and nonporphyrin photosensitizers in oncology: Preclinical and clinical advances in photodynamic therapy Photochem. Photobiol. 2009, 85, 1053-1074
-
(2009)
Photochem. Photobiol.
, vol.85
, pp. 1053-1074
-
-
O'Connor, A.E.1
William, M.2
Gallagher, W.M.3
Byrne, A.T.4
-
25
-
-
0000721504
-
Non-porphyrin photosensitizers in biomedicine
-
Wainwright, M. Non-porphyrin photosensitizers in biomedicine Chem. Soc. ReV. 1996, 25, 351-359
-
(1996)
Chem. Soc. ReV.
, vol.25
, pp. 351-359
-
-
Wainwright, M.1
-
26
-
-
66249138111
-
Design and synthesis of novel phenothiazinium photosensitiser derivatives
-
New, O. M.; Dolphin, D. Design and synthesis of novel phenothiazinium photosensitiser derivatives Eur. J. Org. Chem. 2009, 16, 2675-2686
-
(2009)
Eur. J. Org. Chem.
, vol.16
, pp. 2675-2686
-
-
New, O.M.1
Dolphin, D.2
-
27
-
-
4344713237
-
In Vitro Demonstration of the heavy-atom effect for photodynamic therapy
-
Gorman, A.; Killoran, J.; O'Shea, C.; Kenna, T.; Gallagher, W. M.; O'Shea, D. F. In Vitro Demonstration of the heavy-atom effect for photodynamic therapy J. Am. Chem. Soc. 2004, 126, 10619-10631
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 10619-10631
-
-
Gorman, A.1
Killoran, J.2
O'Shea, C.3
Kenna, T.4
Gallagher, W.M.5
O'Shea, D.F.6
-
28
-
-
0036988849
-
Squaraine dyes for photodynamic therapy: Study of their cytotoxicity and genotoxicity in bacteria and mammalian cells
-
Ramaiah, D.; Eckert, I.; Arun, K. T.; Weidenfeller, L.; Epe, B. Squaraine dyes for photodynamic therapy: study of their cytotoxicity and genotoxicity in bacteria and mammalian cells Photochem. Photobiol. 2002, 76, 672-677
-
(2002)
Photochem. Photobiol.
, vol.76
, pp. 672-677
-
-
Ramaiah, D.1
Eckert, I.2
Arun, K.T.3
Weidenfeller, L.4
Epe, B.5
-
29
-
-
84884549530
-
-
Gaussian 09, Revision A.2, Gaussian, Inc. Wallingford CT.
-
Gaussian 09, Revision A.2, Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, Jr., J. A.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, J. M.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, Ö.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J. Gaussian, Inc., Wallingford CT, 2009.
-
(2009)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
Nakatsuji, H.11
Caricato, M.12
Li, X.13
Hratchian, H.P.14
Izmaylov, A.F.15
Bloino, J.16
Zheng, G.17
Sonnenberg, J.L.18
Hada, M.19
Ehara, M.20
Toyota, K.21
Fukuda, R.22
Hasegawa, J.23
Ishida, M.24
Nakajima, T.25
Honda, Y.26
Kitao, O.27
Nakai, H.28
Vreven, T.29
Montgomery Jr., J.A.30
Peralta, J.E.31
Ogliaro, F.32
Bearpark, M.33
Heyd, J.J.34
Brothers, E.35
Kudin, K.N.36
Staroverov, V.N.37
Kobayashi, R.38
Normand, J.39
Raghavachari, K.40
Rendell, A.41
Burant, J.C.42
Iyengar, S.S.43
Tomasi, J.44
Cossi, M.45
Rega, N.46
Millam, J.M.47
Klene, M.48
Knox, J.E.49
Cross, J.B.50
Bakken, V.51
Adamo, C.52
Jaramillo, J.53
Gomperts, R.54
Stratmann, R.E.55
Yazyev, O.56
Austin, A.J.57
Cammi, R.58
Pomelli, C.59
Ochterski, J.W.60
Martin, R.L.61
Morokuma, K.62
Zakrzewski, V.G.63
Voth, G.A.64
Salvador, P.65
Dannenberg, J.J.66
Dapprich, S.67
Daniels, A.D.68
Farkas, Ö.69
Foresman, J.B.70
Ortiz, J.V.71
Cioslowski, J.72
Fox, D.J.73
more..
-
31
-
-
66349120487
-
Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions
-
Marenich, A. V.; Cramer, J.; Truhlar, D. G. Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions J. Phys. Chem. B 2009, 113, 6378-6396
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 6378-6396
-
-
Marenich, A.V.1
Cramer, J.2
Truhlar, D.G.3
-
32
-
-
0001475454
-
Toward reliable density functional methods without adjustable parameters: The PBE0 model
-
Adamo, C.; Barone, V. Toward reliable density functional methods without adjustable parameters: The PBE0 model J. Chem. Phys. 1999, 110, 6158-6170
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 6158-6170
-
-
Adamo, C.1
Barone, V.2
-
33
-
-
0000284436
-
Assessment of the Perdew-Burke-Ernzerhof exchange-correlation functional
-
Ernzerhof, M.; Scuseria, G. E. Assessment of the Perdew-Burke-Ernzerhof exchange-correlation functional J. Chem. Phys. 1999, 110, 5029-5036
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 5029-5036
-
-
Ernzerhof, M.1
Scuseria, G.E.2
-
34
-
-
40149109196
-
Systematic optimization of long-range corrected hybrid density functional
-
Chai, J. D.; Head-Gordon, M. J. Systematic optimization of long-range corrected hybrid density functional Chem. Phys. 2008, 128, 84106-84155
-
(2008)
Chem. Phys.
, vol.128
, pp. 84106-84155
-
-
Chai, J.D.1
Head-Gordon, M.J.2
-
35
-
-
55849117399
-
Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections
-
Chai, J. D.; Head-Gordon, M. Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections Phys. Chem. Chem. Phys. 2008, 10, 6615-6620
-
(2008)
Phys. Chem. Chem. Phys.
, vol.10
, pp. 6615-6620
-
-
Chai, J.D.1
Head-Gordon, M.2
-
36
-
-
36849115659
-
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, 724-728
-
(1971)
J. Chem. Phys.
, vol.54
, pp. 724-728
-
-
Ditchfield, R.1
Hehre, W.J.2
Pople, J.A.3
-
37
-
-
0347170005
-
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
-
38
-
-
11744322674
-
Energy-adjusted ab initio pseudopotentials for the second and third row transition elements
-
Andrae, D.; Haussermann, U.; Dolg, M.; Stoll, H.; Preuss, H. Energy-adjusted ab initio pseudopotentials for the second and third row transition elements Theor. Chim. Acta 1990, 77, 123-141
-
(1990)
Theor. Chim. Acta
, vol.77
, pp. 123-141
-
-
Andrae, D.1
Haussermann, U.2
Dolg, M.3
Stoll, H.4
Preuss, H.5
-
39
-
-
61749092912
-
Accurate simulation of optical properties in dyes
-
Jacquemin, D.; Perpete, E. A.; Ciofini, I.; Adamo, C. Accurate simulation of optical properties in dyes Acc. Chem. Res. 2009, 42, 326-334
-
(2009)
Acc. Chem. Res.
, vol.42
, pp. 326-334
-
-
Jacquemin, D.1
Perpete, E.A.2
Ciofini, I.3
Adamo, C.4
-
40
-
-
38749112146
-
TD-DFT performance for the visible absorption spectra of organic dyes: Conventional versus long-range hybrids
-
Jacquemin, D.; Perpete, E. A.; Scuseria, G. E.; Ciofini, I.; Adamo, C. TD-DFT performance for the visible absorption spectra of organic dyes: Conventional versus long-range hybrids J. Chem. Theory Comput. 2008, 4, 123-135
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 123-135
-
-
Jacquemin, D.1
Perpete, E.A.2
Scuseria, G.E.3
Ciofini, I.4
Adamo, C.5
-
41
-
-
84855562642
-
Predictive power of long-range corrected functionals on the spectroscopic properties of tetrapyrrole derivatives for photodynamic therapy
-
Eriksson, E. S. E.; Eriksson, L. A. Predictive power of long-range corrected functionals on the spectroscopic properties of tetrapyrrole derivatives for photodynamic therapy Phys. Chem. Chem. Phys. 2011, 13, 7207-7217
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 7207-7217
-
-
Eriksson, E.S.E.1
Eriksson, L.A.2
-
42
-
-
45849134930
-
First-principle time-dependent study of magnesium-containing porphyrin-like compounds potentially useful for their application in photodynamic therapy
-
Lanzo, I.; Russo, N.; Sicilia, E. First-principle time-dependent study of magnesium-containing porphyrin-like compounds potentially useful for their application in photodynamic therapy J. Phys. Chem. B 2008, 112, 4123-4130
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 4123-4130
-
-
Lanzo, I.1
Russo, N.2
Sicilia, E.3
-
43
-
-
36148978601
-
Absorption spectra of the potential photodynamic therapy photosensitizers texaphyrins complexes: A theoretical analysis
-
Quartarolo, A. D.; Russo, N.; Sicilia, E.; Lelj, F. Absorption spectra of the potential photodynamic therapy photosensitizers texaphyrins complexes: A theoretical analysis J. Chem. Theory Comput. 2007, 3, 860-869
-
(2007)
J. Chem. Theory Comput.
, vol.3
, pp. 860-869
-
-
Quartarolo, A.D.1
Russo, N.2
Sicilia, E.3
Lelj, F.4
-
44
-
-
33748537374
-
Structures and electronic absorption spectra of a recently synthesised class of photodynamic therapy agents
-
Quartarolo, A. D.; Russo, N.; Sicilia, E. Structures and electronic absorption spectra of a recently synthesised class of photodynamic therapy agents Chem.-Eur. J. 2006, 12, 6797-6803
-
(2006)
Chem. -Eur. J.
, vol.12
, pp. 6797-6803
-
-
Quartarolo, A.D.1
Russo, N.2
Sicilia, E.3
-
45
-
-
67849118681
-
On the potential use of squaraine derivatives as photosensitizers in photodynamic therapy: A TDDFT and RICC2 survey
-
Quartarolo, A. D.; Sicilia, E.; Russo, N. On the potential use of squaraine derivatives as photosensitizers in photodynamic therapy: A TDDFT and RICC2 survey J. Chem. Theory Comput. 2009, 5, 1849-1857
-
(2009)
J. Chem. Theory Comput.
, vol.5
, pp. 1849-1857
-
-
Quartarolo, A.D.1
Sicilia, E.2
Russo, N.3
-
46
-
-
66749141486
-
Can phthalocyanines and their substituted α-para-(methoxy)phenyl derivatives act as photosensitizers in photodynamic therapy? A TD-DFT study
-
Quartarolo, A. D.; Lanzo, I.; Sicilia, E.; Russo, N. Can phthalocyanines and their substituted α-para-(methoxy)phenyl derivatives act as photosensitizers in photodynamic therapy? A TD-DFT study Phys. Chem. Chem. Phys. 2009, 11, 4586-4592
-
(2009)
Phys. Chem. Chem. Phys.
, vol.11
, pp. 4586-4592
-
-
Quartarolo, A.D.1
Lanzo, I.2
Sicilia, E.3
Russo, N.4
-
47
-
-
84865963687
-
A time-dependent density functional study of a non-aromatic [1.1.1.1.1]-pentaphyrin and its lutetium complex
-
Fortes Ramos Sousa, F.; Quartarolo, A. D.; Sicilia, E.; Russo, N. A time-dependent density functional study of a non-aromatic [1.1.1.1.1]- pentaphyrin and its lutetium complex J. Phys. Chem. B 2012, 116, 10816-10823
-
(2012)
J. Phys. Chem. B
, vol.116
, pp. 10816-10823
-
-
Fortes Ramos Sousa, F.1
Quartarolo, A.D.2
Sicilia, E.3
Russo, N.4
-
48
-
-
22444436041
-
Absorption spectra of first-row transition metal complexes of bacteriochlorins: A theoretical analysis
-
Petit, L.; Adamo, C.; Russo, N. Absorption spectra of first-row transition metal complexes of bacteriochlorins: A theoretical analysis J. Phys. Chem. B 2005, 109, 12214-12221
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 12214-12221
-
-
Petit, L.1
Adamo, C.2
Russo, N.3
-
49
-
-
33644749612
-
Spectroscopic properties of porphyrin-like photosensitizers: Insights from theory
-
Petit, L.; Quartarolo, A.; Adamo, C.; Russo, N. Spectroscopic properties of porphyrin-like photosensitizers: Insights from theory Phys. Chem. B 2006, 110, 2398-2404
-
(2006)
Phys. Chem. B
, vol.110
, pp. 2398-2404
-
-
Petit, L.1
Quartarolo, A.2
Adamo, C.3
Russo, N.4
-
50
-
-
84868208649
-
Experimental and theoretical characterization of a new synthesized extended viologen
-
Alberto, M. E.; De Simone, B. C.; Cospito, S.; Imbardelli, D.; Veltri, L.; Chidichimo, G.; Russo, N. Experimental and theoretical characterization of a new synthesized extended viologen Chem. Phys. Lett. 2012, 552, 141-145
-
(2012)
Chem. Phys. Lett.
, vol.552
, pp. 141-145
-
-
Alberto, M.E.1
De Simone, B.C.2
Cospito, S.3
Imbardelli, D.4
Veltri, L.5
Chidichimo, G.6
Russo, N.7
-
51
-
-
84961984969
-
Photophysical properties of NIR-emitting fluorescence probes: Insights from TD-DFT
-
Bremond, E.; Alberto, M. E.; Russo, N.; Ricci, G.; Ciofini, I.; Adamo, C. Photophysical properties of NIR-emitting fluorescence probes: Insights from TD-DFT Phys. Chem. Chem. Phys. 2013, 15, 10019-10027
-
(2013)
Phys. Chem. Chem. Phys.
, vol.15
, pp. 10019-10027
-
-
Bremond, E.1
Alberto, M.E.2
Russo, N.3
Ricci, G.4
Ciofini, I.5
Adamo, C.6
-
52
-
-
84884555351
-
-
DALTON, a molecular electronic structure program, Release Dalton 2011.
-
DALTON, a molecular electronic structure program, Release Dalton 2011. http://daltonprogram.org/.
-
-
-
-
53
-
-
21344477379
-
Radiative lifetimes of triplet spin sublevels of the azabenzenes
-
Ågren, H.; Vahtras, O.; Knuts, S.; Jørgensen, P. Radiative lifetimes of triplet spin sublevels of the azabenzenes Chem. Phys. 1994, 181, 291-304
-
(1994)
Chem. Phys.
, vol.181
, pp. 291-304
-
-
Ågren, H.1
Vahtras, O.2
Knuts, S.3
Jørgensen, P.4
-
54
-
-
0001041849
-
Internal and external heavy-atom effects on phosphorescence radiative lifetimes calculated using a mean-field spin-orbit Hamiltonian
-
Ruud, K.; Schimmelpfennig, B.; Ågren, H. Internal and external heavy-atom effects on phosphorescence radiative lifetimes calculated using a mean-field spin-orbit Hamiltonian Chem. Phys. Lett. 1999, 27, 215-221
-
(1999)
Chem. Phys. Lett.
, vol.27
, pp. 215-221
-
-
Ruud, K.1
Schimmelpfennig, B.2
Ågren, H.3
-
55
-
-
4243553426
-
Density-functional exchange-energy approximation with correct asymptotic behavior
-
Becke, A. D. Density-functional exchange-energy approximation with correct asymptotic behavior Phys. Rev. A. 1988, 38, 3098-3100
-
(1988)
Phys. Rev. A.
, vol.38
, pp. 3098-3100
-
-
Becke, A.D.1
-
56
-
-
0000189651
-
Density-functional thermochemistry 3. The role of exact exchange
-
Density-functional thermochemistry 3. The role of exact exchange. J. Chem. Phys. 1993, 98, 5648-5652.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648-5652
-
-
-
57
-
-
0345491105
-
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
|