579 related articles for article (PubMed ID: 19606316)
1. Supramolecular interactions of fullerenes with (Cl)Fe- and Mn porphyrins. A theoretical study.
Liao MS; Watts JD; Huang MJ
Phys Chem Chem Phys; 2009 Aug; 11(29):6072-81. PubMed ID: 19606316
[TBL] [Abstract][Full Text] [Related]
2. Dispersion-corrected DFT calculations on C(60)-porphyrin complexes.
Liao MS; Watts JD; Huang MJ
Phys Chem Chem Phys; 2009 Jun; 11(21):4365-74. PubMed ID: 19458840
[TBL] [Abstract][Full Text] [Related]
3. Interaction of metal porphyrins with fullerene C60: a new insight.
Liao MS; Watts JD; Huang MJ
J Phys Chem B; 2007 May; 111(17):4374-82. PubMed ID: 17417891
[TBL] [Abstract][Full Text] [Related]
4. Electronic structure of some substituted iron(II) porphyrins. Are they intermediate or high spin?
Liao MS; Watts JD; Huang MJ
J Phys Chem A; 2007 Jul; 111(26):5927-35. PubMed ID: 17559200
[TBL] [Abstract][Full Text] [Related]
5. Electronic structures of six-coordinate ferric porphyrin complexes with weak axial ligands: usefulness of 13C NMR chemical shifts.
Hoshino A; Ohgo Y; Nakamura M
Inorg Chem; 2005 Oct; 44(21):7333-44. PubMed ID: 16212360
[TBL] [Abstract][Full Text] [Related]
6. Density functional studies of iron-porphyrin cation with small ligands X (X: O, CO, NO, O2, N2, H2O, N2O, CO2).
Abdurahman A; Renger T
J Phys Chem A; 2009 Aug; 113(32):9202-6. PubMed ID: 19618923
[TBL] [Abstract][Full Text] [Related]
7. Noncovalent binding between fullerenes and protonated porphyrins in the gas phase.
Jung S; Seo J; Shin SK
J Phys Chem A; 2010 Nov; 114(43):11376-85. PubMed ID: 20923211
[TBL] [Abstract][Full Text] [Related]
8. Assessment of the performance of density-functional methods for calculations on iron porphyrins and related compounds.
Liao MS; Watts JD; Huang MJ
J Comput Chem; 2006 Oct; 27(13):1577-92. PubMed ID: 16868988
[TBL] [Abstract][Full Text] [Related]
9. Comparative study of metal-porphyrins, -porphyrazines, and -phthalocyanines.
Liao MS; Scheiner S
J Comput Chem; 2002 Nov; 23(15):1391-403. PubMed ID: 12370942
[TBL] [Abstract][Full Text] [Related]
10. Ab initio description of photoabsorption and electron transfer in a doubly-linked porphyrin-fullerene dyad.
Cramariuc O; Hukka TI; Rantala TT; Lemmetyinen H
J Comput Chem; 2009 Jun; 30(8):1194-201. PubMed ID: 18988251
[TBL] [Abstract][Full Text] [Related]
11. Electronic structure of six-coordinate iron(III)-porphyrin NO adducts: the elusive iron(III)-NO(radical) state and its influence on the properties of these complexes.
Praneeth VK; Paulat F; Berto TC; George SD; Näther C; Sulok CD; Lehnert N
J Am Chem Soc; 2008 Nov; 130(46):15288-303. PubMed ID: 18942830
[TBL] [Abstract][Full Text] [Related]
12. Spectroscopic and theoretical insights into the origin of fullerene-calix[4]pyrrole interaction.
Pal D; Goswami D; Nayak SK; Chattopadhyay S; Bhattacharya S
J Phys Chem A; 2010 Jul; 114(25):6776-86. PubMed ID: 20524685
[TBL] [Abstract][Full Text] [Related]
13. Comparison of density functionals for energy and structural differences between the high- [5T2g:(t2g)4(eg)2] and low- [1A1g:(t2g)6(eg)0] spin states of iron(II) coordination compounds. II. More functionals and the hexaminoferrous cation, [Fe(NH3)6]2+.
Fouqueau A; Casida ME; Lawson Daku LM; Hauser A; Neese F
J Chem Phys; 2005 Jan; 122(4):44110. PubMed ID: 15740238
[TBL] [Abstract][Full Text] [Related]
14. The electronic structure of iron corroles: a combined experimental and quantum chemical study.
Ye S; Tuttle T; Bill E; Simkhovich L; Gross Z; Thiel W; Neese F
Chemistry; 2008; 14(34):10839-51. PubMed ID: 18956397
[TBL] [Abstract][Full Text] [Related]
15. Spin and charge distribution in iron porphyrin models: a coupled cluster and density-functional study.
Johansson MP; Sundholm D
J Chem Phys; 2004 Feb; 120(7):3229-36. PubMed ID: 15268476
[TBL] [Abstract][Full Text] [Related]
16. Electronic ground states of iron porphyrin and of the first species in the catalytic reaction cycle of cytochrome P450s.
Groenhof AR; Swart M; Ehlers AW; Lammertsma K
J Phys Chem A; 2005 Apr; 109(15):3411-7. PubMed ID: 16833677
[TBL] [Abstract][Full Text] [Related]
17. Electronic structure, spin-states, and spin-crossover reaction of heme-related Fe-porphyrins: a theoretical perspective.
Ali ME; Sanyal B; Oppeneer PM
J Phys Chem B; 2012 May; 116(20):5849-59. PubMed ID: 22512398
[TBL] [Abstract][Full Text] [Related]
18. Electronic structure and reactivity of isomeric oxo-Mn(V) porphyrins: effects of spin-state crossing and pKa modulation.
De Angelis F; Jin N; Car R; Groves JT
Inorg Chem; 2006 May; 45(10):4268-76. PubMed ID: 16676990
[TBL] [Abstract][Full Text] [Related]
19. Modulation of metal displacements in a saddle distorted macrocycle: synthesis, structure, and properties of high-spin Fe(III) porphyrins and implications for the hemoproteins.
Patra R; Chaudhary A; Ghosh SK; Rath SP
Inorg Chem; 2008 Sep; 47(18):8324-35. PubMed ID: 18700752
[TBL] [Abstract][Full Text] [Related]
20. Light-harvesting supramolecular porphyrin macrocycle accommodating a fullerene-tripodal ligand.
Kuramochi Y; Satake A; Itou M; Ogawa K; Araki Y; Ito O; Kobuke Y
Chemistry; 2008; 14(9):2827-41. PubMed ID: 18228544
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
