282 related articles for article (PubMed ID: 14527227)
21. Theoretical insights into the origin of magnetic exchange and magnetic anisotropy in {Re(IV)-M(II)} (M = Mn, Fe, Co, Ni and Cu) single chain magnets.
Singh SK; Vignesh KR; Archana V; Rajaraman G
Dalton Trans; 2016 May; 45(19):8201-14. PubMed ID: 27096553
[TBL] [Abstract][Full Text] [Related]
22. Nonlinear d(10)-ML2 Transition-Metal Complexes.
Wolters LP; Bickelhaupt FM
ChemistryOpen; 2013 Jun; 2(3):106-14. PubMed ID: 24551547
[TBL] [Abstract][Full Text] [Related]
23. Effects of benzoannulation and alpha-octabutoxy substitution on the photophysical behavior of nickel phthalocyanines: a combined experimental and DFT/TDDFT study.
Soldatova AV; Kim J; Peng X; Rosa A; Ricciardi G; Kenney ME; Rodgers MA
Inorg Chem; 2007 Mar; 46(6):2080-93. PubMed ID: 17300192
[TBL] [Abstract][Full Text] [Related]
24. Vertical-orbital band center as an activity descriptor for hydrogen evolution reaction on single-atom-anchored 2D catalysts.
Qiao W; Yan S; Jin D; Xu X; Mi W; Wang D
J Phys Condens Matter; 2021 May; 33(24):. PubMed ID: 33631737
[TBL] [Abstract][Full Text] [Related]
25. Ground states, excited states, and metal-ligand bonding in rare earth hexachloro complexes: a DFT-based ligand field study.
Atanasov M; Daul C; Güdel HU; Wesolowski TA; Zbiri M
Inorg Chem; 2005 Apr; 44(8):2954-63. PubMed ID: 15819583
[TBL] [Abstract][Full Text] [Related]
26. Symmetry and bonding in metalloporphyrins. A modern implementation for the bonding analyses of five- and six-coordinate high-spin iron(III)-porphyrin complexes through density functional calculation and NMR spectroscopy.
Cheng RJ; Chen PY; Lovell T; Liu T; Noodleman L; Case DA
J Am Chem Soc; 2003 Jun; 125(22):6774-83. PubMed ID: 12769588
[TBL] [Abstract][Full Text] [Related]
27. Influence of the ligand-field on EPR parameters of cis- and trans-isomers in Mo
Nemykin VN; Sabin JR; Kail BW; Upadhyay A; Hendrich MP; Basu P
J Inorg Biochem; 2023 Aug; 245():112228. PubMed ID: 37149488
[TBL] [Abstract][Full Text] [Related]
28. Azide-inhibited bacterial heme oxygenases exhibit an S = 3/2 (dxz,dyz)3(dxy)1(dz2)1 spin state: mechanistic implications for heme oxidation.
Zeng Y; Caignan GA; Bunce RA; Rodríguez JC; Wilks A; Rivera M
J Am Chem Soc; 2005 Jul; 127(27):9794-807. PubMed ID: 15998084
[TBL] [Abstract][Full Text] [Related]
29. Ligand field torque: a pi-type electronic driving force for determining ligand rotational preferences.
Deeth RJ; Anastasi AE; Randell K
Dalton Trans; 2009 Aug; (30):6007-12. PubMed ID: 19623401
[TBL] [Abstract][Full Text] [Related]
30. Innocence and noninnocence of the ligands in bis(pyrazine-2,3-dithiolate and -diselonate) d⁸-metal complexes. A theoretical and experimental study for the Cu(III), Au(III) and Ni(II) cases.
Bruno G; Almeida M; Artizzu F; Dias JC; Mercuri ML; Pilia L; Rovira C; Ribas X; Serpe A; Deplano P
Dalton Trans; 2010 May; 39(19):4566-74. PubMed ID: 20383385
[TBL] [Abstract][Full Text] [Related]
31. Physical Meaning of Virtual Kohn-Sham Orbitals and Orbital Energies: An Ideal Basis for the Description of Molecular Excitations.
van Meer R; Gritsenko OV; Baerends EJ
J Chem Theory Comput; 2014 Oct; 10(10):4432-41. PubMed ID: 26588140
[TBL] [Abstract][Full Text] [Related]
32. Planar three-coordinate high-spin Fe(II) complexes with large orbital angular momentum: Mössbauer, electron paramagnetic resonance, and electronic structure studies.
Andres H; Bominaar EL; Smith JM; Eckert NA; Holland PL; Münck E
J Am Chem Soc; 2002 Mar; 124(12):3012-25. PubMed ID: 11902893
[TBL] [Abstract][Full Text] [Related]
33. Systematic theoretical study of the zero-field splitting in coordination complexes of Mn(III). Density functional theory versus multireference wave function approaches.
Duboc C; Ganyushin D; Sivalingam K; Collomb MN; Neese F
J Phys Chem A; 2010 Oct; 114(39):10750-8. PubMed ID: 20828179
[TBL] [Abstract][Full Text] [Related]
34. Metal complexes containing allenylidene and higher cumulenylidene ligands: a theoretical perspective.
Coletti C; Marrone A; Re N
Acc Chem Res; 2012 Feb; 45(2):139-49. PubMed ID: 21899273
[TBL] [Abstract][Full Text] [Related]
35. Determining relative f and d orbital contributions to M-Cl covalency in MCl6(2-) (M = Ti, Zr, Hf, U) and UOCl5(-) using Cl K-edge X-ray absorption spectroscopy and time-dependent density functional theory.
Minasian SG; Keith JM; Batista ER; Boland KS; Clark DL; Conradson SD; Kozimor SA; Martin RL; Schwarz DE; Shuh DK; Wagner GL; Wilkerson MP; Wolfsberg LE; Yang P
J Am Chem Soc; 2012 Mar; 134(12):5586-97. PubMed ID: 22404133
[TBL] [Abstract][Full Text] [Related]
36. Evidence for the involvement of 5f orbitals in the bonding and reactivity of organometallic actinide compounds: thorium(IV) and uranium(IV) bis(hydrazonato) complexes.
Cantat T; Graves CR; Jantunen KC; Burns CJ; Scott BL; Schelter EJ; Morris DE; Hay PJ; Kiplinger JL
J Am Chem Soc; 2008 Dec; 130(51):17537-51. PubMed ID: 19053455
[TBL] [Abstract][Full Text] [Related]
37. Ligand field theory, Pauli shields and ultra-covalency in organometallic chemistry.
Deeth RJ
Phys Chem Chem Phys; 2024 Jul; 26(26):18138-18148. PubMed ID: 38896132
[TBL] [Abstract][Full Text] [Related]
38. Ligand K-edge XAS, DFT, and TDDFT analysis of pincer linker variations in Rh(i) PNP complexes: reactivity insights from electronic structure.
Lee K; Wei H; Blake AV; Donahue CM; Keith JM; Daly SR
Dalton Trans; 2016 Jun; 45(24):9774-85. PubMed ID: 27216135
[TBL] [Abstract][Full Text] [Related]
39. Benzoannelation stabilizes the d(xy)1 state of low-spin iron(III) porphyrinates.
Ikeue T; Handa M; Chamberlin A; Ghosh A; Ongayi O; Vicente MG; Ikezaki A; Nakamura M
Inorg Chem; 2011 Apr; 50(8):3567-81. PubMed ID: 21410230
[TBL] [Abstract][Full Text] [Related]
40. Metalloporphyrin-Nitroxyl Interactions: The Low-Energy States of Reduced Manganese, Iron, and Cobalt Porphyrin Nitrosyls.
Conradie J; Ghosh A
J Phys Chem B; 2016 Jun; 120(22):4972-9. PubMed ID: 27245286
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]