-
4
-
-
33748877651
-
Fluorescence decay kinetics and structure of aggregated tetrakis(p-sulfonatophenyl)porphyrin
-
Akins DL, Özçelik S, Zhu H, Guo C. Fluorescence decay kinetics and structure of aggregated tetrakis(p-sulfonatophenyl)porphyrin. J Phys Chem 1996;100:14390-14396.
-
(1996)
J Phys Chem
, vol.100
, pp. 14390-14396
-
-
Akins, D.L.1
Özçelik, S.2
Zhu, H.3
Guo, C.4
-
6
-
-
0342598949
-
Vibronic theory of magnetic vibrational circular dichroism in systems with fourfold symmetry: Theoretical analysis for copper tetraphenylporphyrin
-
Pawlikowski M, Pilch M, Mortensen OS. Vibronic theory of magnetic vibrational circular dichroism in systems with fourfold symmetry: theoretical analysis for copper tetraphenylporphyrin. J Chem Phys 1992; 96:4982-4990.
-
(1992)
J Chem Phys
, vol.96
, pp. 4982-4990
-
-
Pawlikowski, M.1
Pilch, M.2
Mortensen, O.S.3
-
7
-
-
4243915865
-
Fluorescence properties o tetraphenylporphyrin-polypeptide complexes as a model of photosynthetic systems
-
Pančoška P, Urbanová M, Karvatovsky BN, Paschenko VZ, Vacek K. Fluorescence properties o tetraphenylporphyrin-polypeptide complexes as a model of photosynthetic systems. Chem Phys Lett 1987; 139:49-54.
-
(1987)
Chem Phys Lett
, vol.139
, pp. 49-54
-
-
Pančoška, P.1
Urbanová, M.2
Karvatovsky, B.N.3
Paschenko, V.Z.4
Vacek, K.5
-
8
-
-
0000598346
-
Model of porphyrin-protein complexes: Tetraphenylporphyrine complexes with polycationic sequential polypeptides. Absorption, circular dichroism and fluorescence properties
-
Panc̃oška P, Urbanová M, Bednárová L, Vacek K, Vasilev S, Paschenko VZ, Maloň P. Král V. Model of porphyrin-protein complexes: tetraphenylporphyrine complexes with polycationic sequential polypeptides. Absorption, circular dichroism and fluorescence properties. Chem Phys 1990;147:401-413.
-
(1990)
Chem Phys
, vol.147
, pp. 401-413
-
-
Panc̃oška, P.1
Urbanová, M.2
Bednárová, L.3
Vacek, K.4
Vasilev, S.5
Paschenko, V.Z.6
Maloň, P.7
Král, V.8
-
9
-
-
18744433292
-
Infrared absorption and vibrational circular dichroism spectra of selected deoxyoctanucleotides complexed with daunorubicin
-
Maharaj V, Rauk A, van de Sande JH, Wieser H. Infrared absorption and vibrational circular dichroism spectra of selected deoxyoctanucleotides complexed with daunorubicin. J Mol Struct 1997;408-409: 315-318.
-
(1997)
J Mol Struct
, vol.408-409
, pp. 315-318
-
-
Maharaj, V.1
Rauk, A.2
Van De Sande, J.H.3
Wieser, H.4
-
10
-
-
0001520272
-
Near-infrared-excited FT-Raman spectra of covalently linked porphyrin-nitrobenzene compounds
-
Akins DL, Guo C, Zhu H. Near-infrared-excited FT-Raman spectra of covalently linked porphyrin-nitrobenzene compounds. J Phys Chem 1993;97:3974-3977.
-
(1993)
J Phys Chem
, vol.97
, pp. 3974-3977
-
-
Akins, D.L.1
Guo, C.2
Zhu, H.3
-
11
-
-
0000051596
-
Resonance Raman spectra of the triplet state of free-base tetraphenylporphyrin and six of its isotopomers
-
Bell SEJ, Al-Obaidi AHR, Hegart MJN, McGarvey JJ, Hester RE. Resonance Raman spectra of the triplet state of free-base tetraphenylporphyrin and six of its isotopomers. J Phys Chem 1995;99:3959.
-
(1995)
J Phys Chem
, vol.99
, pp. 3959
-
-
Bell, S.E.J.1
Al-Obaidi, A.H.R.2
Hegart, M.J.N.3
McGarvey, J.J.4
Hester, R.E.5
-
12
-
-
0030590182
-
Surface-enhanced resonance Raman spectra of water-insoluble tetraphenylporphyrin and chlorophyll a on silver hydrosols with a dioxane molecular spacer
-
Woolley PS, Keely BJ, Bester RE. Surface-enhanced resonance Raman spectra of water-insoluble tetraphenylporphyrin and chlorophyll a on silver hydrosols with a dioxane molecular spacer. Chem Phys Lett 1996;258:501.
-
(1996)
Chem Phys Lett
, vol.258
, pp. 501
-
-
Woolley, P.S.1
Keely, B.J.2
Bester, R.E.3
-
13
-
-
0002397910
-
Method for the evaluation of normal modes and molecular mechanics with reduced sets of force constants. 1. principles and reliability test
-
Unger E, Lipski RJ, Dreybrodt W, Schweitzer-Stenner R. Method for the evaluation of normal modes and molecular mechanics with reduced sets of force constants. 1. principles and reliability test. J Raman Spectrosc 1999;30:3-28.
-
(1999)
J Raman Spectrosc
, vol.30
, pp. 3-28
-
-
Unger, E.1
Lipski, R.J.2
Dreybrodt, W.3
Schweitzer-Stenner, R.4
-
14
-
-
0001092042
-
Porphine force field: In-plane normal modes of free-base porphine. Comparison with metalloporphines and structural implications
-
Li XY, Zgierski MZ. Porphine force field: in-plane normal modes of free-base porphine. Comparison with metalloporphines and structural implications. J Phys Chem 1991;95:4268-4287.
-
(1991)
J Phys Chem
, vol.95
, pp. 4268-4287
-
-
Li, X.Y.1
Zgierski, M.Z.2
-
15
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Krisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, Montgomery JA, Stratmann RE, Burant JC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Cammi R, Mennucci B, Pomelli C, Adamo C, Clifford S, Ochterski J, Petersson GA, Ayala PY, Cui Q, Morokuma K, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Cioslowski J, Ortiz JV, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaroni I, Gomperts R, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Gonzales C, Challacombe M, Gill PMW, Johnson BG, Chen W, Wong MW, Andres JL, Head-Gordon M, Replogle ES, Pople JA. Gaussian 98, revision A.3; Gaussian, Inc.: Pittsburgh, PA; 1998.
-
(1998)
Gaussian 98, Revision A.3
-
-
Krisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery, J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaroni, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzales, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
16
-
-
0000189651
-
Density-functional thermochemistry. III. The role of exact exchange
-
Becke AD. 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
-
17
-
-
33645898818
-
Accurate and simple analytic representation of the electron-gas correlation energy
-
Perdew JP, Wang Y. Accurate and simple analytic representation of the electron-gas correlation energy. Phys Rev B 1992;45:13244-13249.
-
(1992)
Phys Rev B
, vol.45
, pp. 13244-13249
-
-
Perdew, J.P.1
Wang, Y.2
-
18
-
-
0001685164
-
Ab initio density functional theory study of the structure and vibrational spectra of cyclohexanone and its isotopomers
-
Devlin FJ, Stephens PJ. Ab initio density functional theory study of the structure and vibrational spectra of cyclohexanone and its isotopomers. J Phys Chem A 1999;103:527-538.
-
(1999)
J Phys Chem A
, vol.103
, pp. 527-538
-
-
Devlin, F.J.1
Stephens, P.J.2
-
19
-
-
0030018579
-
Prediction of vibrational circular dichroism spectra using density functional theory: Camphor and fenchone
-
Devlin FJ, Stephens PJ, Cheeseman JR, Frisch MJ. Prediction of vibrational circular dichroism spectra using density functional theory: camphor and fenchone. J Am Chem Soc 1996;118:6327-6328.
-
(1996)
J Am Chem Soc
, vol.118
, pp. 6327-6328
-
-
Devlin, F.J.1
Stephens, P.J.2
Cheeseman, J.R.3
Frisch, M.J.4
-
20
-
-
0001167142
-
Transfer of molecular property tensors in cartesian coordinates: A new algorithm for simulation of vibrational spectra
-
Bour P, Sopková J, Bednárová L, Maloň P, Keiderling TA. Transfer of molecular property tensors in cartesian coordinates: A new algorithm for simulation of vibrational spectra. J Comput Chem 1997;18:646-659.
-
(1997)
J Comput Chem
, vol.18
, pp. 646-659
-
-
Bour, P.1
Sopková, J.2
Bednárová, L.3
Maloň, P.4
Keiderling, T.A.5
-
21
-
-
0001317997
-
The structure of crystalline tetraphenylporphine. the stereochemical nature of porfine skeleton
-
Hamor MJ, Hamor TA, Hoard JL. The structure of crystalline tetraphenylporphine. The stereochemical nature of porfine skeleton. J Am Chem Soc 1964;86:1938-1942.
-
(1964)
J Am Chem Soc
, vol.86
, pp. 1938-1942
-
-
Hamor, M.J.1
Hamor, T.A.2
Hoard, J.L.3
-
22
-
-
0014213107
-
The crystal and molecular structure of triclinic tetraphenylporphyrin
-
Silvers SJ, Tulinski A. The crystal and molecular structure of triclinic tetraphenylporphyrin. J Am Chem Soc 1967;89:3331-3337.
-
(1967)
J Am Chem Soc
, vol.89
, pp. 3331-3337
-
-
Silvers, S.J.1
Tulinski, A.2
-
23
-
-
0032351539
-
The importance of electron correlation for the ground state structure of porphycene and tetraoxaporphyrin-dication
-
Malsch K, Roeb M, Karuth V, Hohlneicher G. The importance of electron correlation for the ground state structure of porphycene and tetraoxaporphyrin-dication. Chem Phys 1998;227(3):331-348.
-
(1998)
Chem Phys
, vol.227
, Issue.3
, pp. 331-348
-
-
Malsch, K.1
Roeb, M.2
Karuth, V.3
Hohlneicher, G.4
-
24
-
-
0031674590
-
Measurement and calculation of absolute rotational strengths for camphor, α-pinene and borneol
-
Bouř P, McCann J, Wieser H. Measurement and calculation of absolute rotational strengths for camphor, α-pinene and borneol. J Phys Chem A 1998;102:102-110.
-
(1998)
J Phys Chem A
, vol.102
, pp. 102-110
-
-
Bouř, P.1
McCann, J.2
Wieser, H.3
-
25
-
-
0029987288
-
Vibrational optical activity of (3S, 6S)-3,6-dimethyl-1,4-dioxane-2,5-dione
-
Tam CN, Bouř P, Keiderling TA. Vibrational optical activity of (3S, 6S)-3,6-dimethyl-1,4-dioxane-2,5-dione. J Am Chem Soc 1996;118: 10285-10293.
-
(1996)
J Am Chem Soc
, vol.118
, pp. 10285-10293
-
-
Tam, C.N.1
Bouř, P.2
Keiderling, T.A.3
-
26
-
-
0000605039
-
Vibrational optical activity study of trans-d2-succinic anhydride
-
Bouř P, Tam CN, Shaharuzzaman M, Chickos JS, Keiderling TA. Vibrational optical activity study of trans-d2-succinic anhydride. J Phys Chem 1996;100:15041-15048.
-
(1996)
J Phys Chem
, vol.100
, pp. 15041-15048
-
-
Bouř, P.1
Tam, C.N.2
Shaharuzzaman, M.3
Chickos, J.S.4
Keiderling, T.A.5
-
28
-
-
0000611051
-
2TPP: Extended tetraphenylporphine vibrational assignments and bonding effects
-
2TPP: extended tetraphenylporphine vibrational assignments and bonding effects. J Phys Chem 1984;88:369-374.
-
(1984)
J Phys Chem
, vol.88
, pp. 369-374
-
-
A Stein, P.1
Ulman, A.2
Spiro, T.G.3
-
29
-
-
0001484813
-
Spectroscopic characterization of porphyrin supramolecular aggregates on polylysine and their application to quantitative DNA determination
-
Gurrieri S, Aliffi A, Bellacchio E, Laureci R, Purrelo R. Spectroscopic characterization of porphyrin supramolecular aggregates on polylysine and their application to quantitative DNA determination. Inorg Chim Acta 1999;286:121-126.
-
(1999)
Inorg Chim Acta
, vol.286
, pp. 121-126
-
-
Gurrieri, S.1
Aliffi, A.2
Bellacchio, E.3
Laureci, R.4
Purrelo, R.5
-
30
-
-
0000300941
-
Computational evaluation of the coupled oscillator model in the vibrational circular dichroism of selected small molecules
-
Bouř P, Keiderling TA. Computational evaluation of the coupled oscillator model in the vibrational circular dichroism of selected small molecules. J Am Chem Soc 1992;114:9100-9105.
-
(1992)
J Am Chem Soc
, vol.114
, pp. 9100-9105
-
-
Bouř, P.1
Keiderling, T.A.2
-
32
-
-
0000466156
-
Ab initio simulations of the vibrational circular dichroism of coupled peptides
-
Bouř P, Keiderling TA. Ab initio simulations of the vibrational circular dichroism of coupled peptides. J A Chem Soc 1993;15:9602-9607.
-
(1993)
J A Chem Soc
, vol.15
, pp. 9602-9607
-
-
Bouř, P.1
Keiderling, T.A.2
|