화학공학소재연구정보센터
검색결과 : 26건
No. Article
1 The impact of modifying the ligands on hydrogen production electro-catalyzed by meso-tetra-p-X-phenylporphin cobalt complexes, CoT(X)PP
Liu Y, Fu LZ, Yang LM, Liu XP, Zhan SZ, Ni CL
Journal of Molecular Catalysis A-Chemical, 417, 101, 2016
2 Estimation of electron spectra transitions of free-based porphin and Mg-porphin using various quantum chemical approaches
Seda J, Burda JV, Brazdova V, Kapsa V
International Journal of Molecular Sciences, 5(4-7), 196, 2004
3 The prognosis of columnar mesomorphism and experimental data for a new series of porphin derivatives
Ol'ga A, Sergey Z, Ol'ga Z, Nadejda U
Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, 364, 611, 2001
4 Role of the heme active site and protein environment in structure, spectra, and function of the cytochrome p450s
Loew GH, Harris DL
Chemical Reviews, 100(2), 407, 2000
5 Multireference perturbation theory for large restricted and selected active space reference wave functions
Celani P, Werner HJ
Journal of Chemical Physics, 112(13), 5546, 2000
6 Density functional theory based configuration interaction calculations on the electronic spectra of free-base porphyrin, chlorin, bacteriochlorin, and cis- and trans-isobacteriochlorin
Parusel ABJ, Ghosh A
Journal of Physical Chemistry A, 104(11), 2504, 2000
7 A theoretical study of the excited states of chlorophyll a and pheophytin a
Parusel ABJ, Grimme S
Journal of Physical Chemistry B, 104(22), 5395, 2000
8 Reevaluation of the gas-phase valence photoelectron spectra of octaethylporphyrin and tetraphenylporphyrin
Gruhn NE, Lichtenberger DL, Ogura H, Walker FA
Inorganic Chemistry, 38(18), 4023, 1999
9 DFT-SQM force field for nickel porphine: Intrinsic ruffling
Kozlowski PM, Rush TS, Jarzecki AA, Zgierski MZ, Chase B, Piffat C, Ye BH, Li XY, Pulay P, Spiro TG
Journal of Physical Chemistry A, 103(10), 1357, 1999
10 Theoretical study of the Q and B bands of free-base, magnesium, and zinc porphyrins, and their derivatives
Hashimoto T, Choe EK, Nakano H, Hirao K
Journal of Physical Chemistry A, 103(12), 1894, 1999