282 related articles for article (PubMed ID: 14527227)
1. Ligand field and density functional descriptions of the d-states and bonding in transition metal complexes.
Deeth RJ
Faraday Discuss; 2003; 124():379-91; discussion 393-403, 453-5. PubMed ID: 14527227
[TBL] [Abstract][Full Text] [Related]
2. d-orbital energy levels in planar [M
Deeth RJ
Dalton Trans; 2020 Jul; 49(28):9641-9650. PubMed ID: 32618313
[TBL] [Abstract][Full Text] [Related]
3. Square-antiprismatic eight-coordinate complexes of divalent first-row transition metal cations: a density functional theory exploration of the electronic-structural landscape.
Conradie J; Patra AK; Harrop TC; Ghosh A
Inorg Chem; 2015 Feb; 54(4):1375-83. PubMed ID: 25574575
[TBL] [Abstract][Full Text] [Related]
4. UV-visible absorption spectra of [Ru(E)(E')(CO)(2)(iPr-DAB)] (E = E' = SnPh(3) or Cl; E = SnPh(3) or Cl, E' = CH(3); iPr-DAB = N,N'-Di-isopropyl-1,4-diaza-1,3-butadiene): combination of CASSCF/CASPT2 and TD-DFT calculations.
Turki M; Daniel C; Zális S; Vlcek A; van Slageren J; Stufkens DJ
J Am Chem Soc; 2001 Nov; 123(46):11431-40. PubMed ID: 11707120
[TBL] [Abstract][Full Text] [Related]
5. Density Functional Theory (DFT)-Based Bonding Analysis Correlates Ligand Field Strength with
Kaneko M; Kato A; Nakashima S; Kitatsuji Y
Inorg Chem; 2019 Oct; 58(20):14024-14033. PubMed ID: 31571490
[TBL] [Abstract][Full Text] [Related]
6. Metal-porphyrin orbital interactions in highly saddled low-spin iron(III) porphyrin complexes.
Ohgo Y; Hoshino A; Okamura T; Uekusa H; Hashizume D; Ikezaki A; Nakamura M
Inorg Chem; 2007 Oct; 46(20):8193-207. PubMed ID: 17725347
[TBL] [Abstract][Full Text] [Related]
7. Magnetic Circular Dichroism Evidence for an Unusual Electronic Structure of a Tetracarbene-Oxoiron(IV) Complex.
Ye S; Kupper C; Meyer S; Andris E; Navrátil R; Krahe O; Mondal B; Atanasov M; Bill E; Roithová J; Meyer F; Neese F
J Am Chem Soc; 2016 Nov; 138(43):14312-14325. PubMed ID: 27682505
[TBL] [Abstract][Full Text] [Related]
8. Formation of the intermediate-spin iron(III) porphyrin complexes with (dxz, dyz)3(dxy)1(dz2)1 electron configuration.
Sakai T; Ohgo Y; Ikeue T; Takahashi M; Takeda M; Nakamura M
J Am Chem Soc; 2003 Oct; 125(43):13028-9. PubMed ID: 14570467
[TBL] [Abstract][Full Text] [Related]
9. Electronic Structure of Trigonal-Planar Transition-Metal-Imido Complexes: Spin-State Energetics, Spin-Density Profiles, and the Remarkable Performance of the OLYP Functional.
Conradie J; Ghosh A
J Chem Theory Comput; 2007 May; 3(3):689-702. PubMed ID: 26627386
[TBL] [Abstract][Full Text] [Related]
10. A structure-based analysis of the vibrational spectra of nitrosyl ligands in transition-metal coordination complexes and clusters.
De La Cruz C; Sheppard N
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan; 78(1):7-28. PubMed ID: 21123107
[TBL] [Abstract][Full Text] [Related]
11. Electronic Structure of Tetracyanonickelate(II).
Oppenheim JJ; McNicholas BJ; Miller J; Gray HB
Inorg Chem; 2019 Nov; 58(22):15202-15206. PubMed ID: 31697485
[TBL] [Abstract][Full Text] [Related]
12. Spectroscopy of non-heme iron thiolate complexes: insight into the electronic structure of the low-spin active site of nitrile hydratase.
Kennepohl P; Neese F; Schweitzer D; Jackson HL; Kovacs JA; Solomon EI
Inorg Chem; 2005 Mar; 44(6):1826-36. PubMed ID: 15762709
[TBL] [Abstract][Full Text] [Related]
13. Three-Coordinate Formal Cobalt(0), Iron(0), and Manganese(0) Complexes with Persistent Carbene and Alkene Ligation.
Liu Y; Cheng J; Deng L
Acc Chem Res; 2020 Jan; 53(1):244-254. PubMed ID: 31880150
[TBL] [Abstract][Full Text] [Related]
14. An average-of-configuration method for using Kohn-Sham density functional theory in modeling ligand-field theory.
Anthon C; Bendix J; Schäffer CE
Inorg Chem; 2003 Jun; 42(13):4088-97. PubMed ID: 12817966
[TBL] [Abstract][Full Text] [Related]
15. Electronic structure of 3d[M(H2O)6](3+) ions from Sc(III) to Fe(III): a quantum mechanical study based on DFT computations and natural bond orbital analyses.
Kallies B; Meier R
Inorg Chem; 2001 Jun; 40(13):3101-12. PubMed ID: 11399179
[TBL] [Abstract][Full Text] [Related]
16. Molecular and Electronic Structures of Homoleptic Six-Coordinate Cobalt(I) Complexes of 2,2':6',2″-Terpyridine, 2,2'-Bipyridine, and 1,10-Phenanthroline. An Experimental and Computational Study.
England J; Bill E; Weyhermüller T; Neese F; Atanasov M; Wieghardt K
Inorg Chem; 2015 Dec; 54(24):12002-18. PubMed ID: 26636830
[TBL] [Abstract][Full Text] [Related]
17. Solid-state changes in ligand-to-metal charge-transfer spectra of (NH3)5Ru(III)(2,4-dihydroxybenzoate) and (NH3)5Ru(III)(xanthine) chromophores.
Krogh-Jespersen K; Stibrany RT; John E; Westbrook JD; Emge TJ; Clarke MJ; Potenza JA; Schugar HJ
Inorg Chem; 2008 Nov; 47(21):9813-27. PubMed ID: 18837549
[TBL] [Abstract][Full Text] [Related]
18. Experimental and Theoretical Evidence for an Unusual Almost Triply Degenerate Electronic Ground State of Ferrous Tetraphenylporphyrin.
Tarrago M; Römelt C; Nehrkorn J; Schnegg A; Neese F; Bill E; Ye S
Inorg Chem; 2021 Apr; 60(7):4966-4985. PubMed ID: 33739093
[TBL] [Abstract][Full Text] [Related]
19. Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems.
Gagliardi L; Truhlar DG; Li Manni G; Carlson RK; Hoyer CE; Bao JL
Acc Chem Res; 2017 Jan; 50(1):66-73. PubMed ID: 28001359
[TBL] [Abstract][Full Text] [Related]
20. Mechanism of NO photodissociation in photolabile manganese-NO complexes with pentadentate N5 ligands.
Merkle AC; Fry NL; Mascharak PK; Lehnert N
Inorg Chem; 2011 Dec; 50(23):12192-203. PubMed ID: 22040173
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]