| scholarly article | Q13442814 |
| P356 | DOI | 10.1039/C7SC00825B |
| P8608 | Fatcat ID | release_wsn3qaddmzeubjkq2rhdif55h4 |
| P932 | PMC publication ID | 5625586 |
| P698 | PubMed publication ID | 28989638 |
| P50 | author | William J. Evans | Q30597880 |
| Jing Su | Q57987206 | ||
| David H. Woen | Q58745632 | ||
| Jonathan W. Engle | Q59696018 | ||
| Angela C Olson | Q60567818 | ||
| Austin J Ryan | Q87909892 | ||
| Maryline G Ferrier | Q88117574 | ||
| Enrique R. Batista | Q88291012 | ||
| Stosh A. Kozimor | Q88335943 | ||
| Benjamin W Stein | Q95979694 | ||
| Juan S Lezama Pacheco | Q95990494 | ||
| Gregory L Wagner | Q44879734 | ||
| Ping Yang | Q44879841 | ||
| Samantha K Cary | Q50224843 | ||
| Megan E Fieser | Q57070925 | ||
| P2093 | author name string | Tonya Vitova | |
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| Single-reference ab initio methods for the calculation of excited states of large molecules | Q34466111 | ||
| 6-(Tetrazol-5-yl)-2,2'-bipyridine: a highly selective ligand for the separation of lanthanides(III) and actinides(III). | Q35195469 | ||
| The DBH24/08 Database and Its Use to Assess Electronic Structure Model Chemistries for Chemical Reaction Barrier Heights | Q35853532 | ||
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| Role of Geometric Distortion and Polarization in Localizing Electronic Excitations in Conjugated Polymers. | Q40296531 | ||
| Oxidation state, a long-standing issue! | Q42354244 | ||
| Record High Single-Ion Magnetic Moments Through 4f(n)5d(1) Electron Configurations in the Divalent Lanthanide Complexes [(C5H4SiMe3)3Ln]⁻. | Q43547784 | ||
| Tetrahalide complexes of the [U(NR)2]2+ ion: synthesis, theory, and chlorine K-edge X-ray absorption spectroscopy | Q43792530 | ||
| XAFS study of gadolinium and samarium bisporphyrinate complexes | Q43795470 | ||
| A convenient route to lanthanide triiodide THF solvates. Crystal structures of LnI(3)(THF)(4) [Ln = Pr] and LnI(3)(THF)(3.5) [Ln = Nd, Gd, Y]. | Q44712427 | ||
| Identification of the +2 oxidation state for uranium in a crystalline molecular complex, [K(2.2.2-cryptand)][(C5H4SiMe3)3U]. | Q44806965 | ||
| 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 | Q44879659 | ||
| Covalent lanthanide chemistry near the limit of weak bonding: observation of (CpSiMe3)3Ce-ECp* and a comprehensive density functional theory analysis of Cp3Ln-ECp (E = Al, Ga). | Q45996387 | ||
| Synthesis of a crystalline molecular complex of Y2+, [(18-crown-6)K][(C5H4SiMe3)3Y]. | Q46009435 | ||
| Intermediate-valence tautomerism in decamethylytterbocene complexes of methyl-substituted bipyridines | Q46042947 | ||
| Synthesis and characterization of cerium and yttrium alkoxide complexes supported by ferrocene-based chelating ligands | Q46054953 | ||
| Structural, spectroscopic, and theoretical comparison of traditional vs recently discovered Ln(2+) ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] complexes: the variable nature of Dy(2+) and Nd(2+). | Q46082948 | ||
| Trends in covalency for d- and f-element metallocene dichlorides identified using chlorine K-edge X-ray absorption spectroscopy and time-dependent density functional theory | Q46298049 | ||
| A comparison of 4f vs 5f metal-metal bonds in (CpSiMe3)3M-ECp* (M = Nd, U; E = Al, Ga; Cp* = C5Me5): synthesis, thermodynamics, magnetism, and electronic structure | Q46451282 | ||
| Paving the way for the synthesis of a series of divalent actinide complexes: a theoretical perspective | Q46609614 | ||
| Expanding rare-earth oxidation state chemistry to molecular complexes of holmium(II) and erbium(II). | Q46652142 | ||
| Direct observation of 4f intrashell excitation in luminescent Eu complexes by time-resolved X-ray absorption near edge spectroscopy. | Q46922495 | ||
| Metal-metal multiple bonding in C3-symmetric bimetallic complexes of the first row transition metals | Q46947529 | ||
| Variable photon energy photoelectron spectroscopy of tris-cyclopentadienyl lanthanides. | Q50461955 | ||
| Covalency in the 4f shell of tris-cyclopentadienyl ytterbium (YbCp3)--a spectroscopic evaluation. | Q50508421 | ||
| Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States. | Q51056830 | ||
| Insufficient Hartree-Fock Exchange in Hybrid DFT Functionals Produces Bent Alkynyl Radical Structures. | Q51434137 | ||
| [NdI2 (thf)5 ], the First Crystallographically Authenticated Neodymium(II) Complex. | Q52803708 | ||
| Calibration of Energy-Specific TDDFT for Modeling K-edge XAS Spectra of Light Elements. | Q53281320 | ||
| Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C5H3(SiMe3)2]3Th}1- anion containing thorium in the formal +2 oxidation state. | Q55360194 | ||
| The anomalous stabilisation of the oxidation state 2+ of lanthanides and actinides | Q55918659 | ||
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| Molecular compounds of “new” divalent lanthanides | Q56518341 | ||
| The Bond between CO and Cp′3U in Cp′3U(CO) Involves Back-bonding from the Cp′3U Ligand-Based Orbitals of π-Symmetry, where Cp′ Represents a Substituted Cyclopentadienyl Ligand | Q57400201 | ||
| The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other fun | Q57402104 | ||
| Thermochemical Kinetics of Hydrogen-Atom Transfers between Methyl, Methane, Ethynyl, Ethyne, and Hydrogen | Q57402143 | ||
| P433 | issue | 9 | |
| P407 | language of work or name | English | Q1860 |
| P304 | page(s) | 6076-6091 | |
| P577 | publication date | 2017-06-30 | |
| P1433 | published in | Chemical Science | Q2962267 |
| P1476 | title | Evaluating the electronic structure of formal LnII ions in LnII(C5H4SiMe3)31- using XANES spectroscopy and DFT calculations | |
| P478 | volume | 8 |
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