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Electronic Spectra of M(CO)6 (M = Cr, Mo, W) Revisited by a Relativistic TDDFT Approach
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Numerical integration for polyatomic systems
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Elements of inorganic photochemistry.
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A Reassessment of the First Metal-Carbonyl Dissociation Energy in M(CO)4 (M = Ni, Pd, Pt), M(CO)5 (M = Fe, Ru, Os), and M(CO)6 (M = Cr, Mo, W) by a Quasirelativistic Density Functional Method
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inferred← citeshttps://doi.org/10.1016/j.dyepig.2018.08.044openalex-snapshot
Optical and electronic properties of benzopyrylium derivatives. Theoretical-experimental synergy towards novel DSSCs devices
inferred← citeshttps://doi.org/10.1016/j.dyepig.2025.113214openalex-snapshot
Mechanochromic emission in ternary CB[8]TPA2 array. Insights into the role of host-interaction nature
inferred← citeshttps://doi.org/10.1016/j.elspec.2023.147342openalex-snapshot
N, O and F K-edges XAS and DFT combination for the exploration of linkage isomers of coordinated nitric oxide in a ruthenium nitrosyl complex
inferred← citeshttps://doi.org/10.1016/j.heliyon.2020.e04457openalex-snapshot
Photolysis, tautomerism and conformational analysis of dehydroacetic acid and a comparison with 2-hydroxyacetophenone and 2-acetyl-1,3-cyclohexanodione
inferred← citeshttps://doi.org/10.1016/j.ica.2005.12.036openalex-snapshot
A DFT and MP2 study of luminescence of gold(I) complexes
inferred← citeshttps://doi.org/10.1016/j.ica.2007.09.022openalex-snapshot
CO-loss and geometric isomerization in the frozen matrix photochemistry of cis-Fe(CO)4X2, where X = Br and I, cis-[Et4N][Mn(CO)4Br2], cis-Mn(CO)4(PBu3)Br, and Mn(CO)3(PBu3)2Br
inferred← citeshttps://doi.org/10.1016/j.ica.2016.07.015openalex-snapshot
Pt(II) nitrile complexes: New insights on old complexes from a combined experimental and theoretical study
inferred← citeshttps://doi.org/10.1016/j.ica.2019.119136openalex-snapshot
Facile synthesis of a luminescent copper(I) coordination polymer containing a flexible benzotriazole-based ligand: An effective catalyst for three-component azide-alkyne cycloaddition
inferred← citeshttps://doi.org/10.1016/j.inoche.2008.08.015openalex-snapshot
Synthesis, characterization, DNA-binding properties and electronic structure (DFT) of ruthenium oligopyridine complexes
inferred← citeshttps://doi.org/10.1016/j.jorganchem.2004.06.023openalex-snapshot
Organometallic photochemistry at the end of its first century
inferred← citeshttps://doi.org/10.1016/j.jorganchem.2005.07.023openalex-snapshot
An experimental and DFT computational study of a novel zerovalent tetracarbonyl tungsten complex of 2-(2′-pyridyl)quinoxaline
inferred← citeshttps://doi.org/10.1016/j.jorganchem.2007.02.048openalex-snapshot
Synthesis, molecular, crystal and electronic structure of [(C6H6)RuCl(1,10-C12H8N2)]Cl
inferred← citeshttps://doi.org/10.1016/j.jorganchem.2010.04.010openalex-snapshot
Matrix effects and their role in the low-temperature photochemistry of (η-Aniline)Cr(CO)3
inferred← citeshttps://doi.org/10.1016/j.jorganchem.2010.06.016openalex-snapshot
Calculating the CO-factored force constants of tricarbonyl complexes with Cs symmetry
inferred← citeshttps://doi.org/10.1016/j.jphotochem.2024.115547openalex-snapshot
Electronic pathway of the exciplex emitters. Unraveling the emission properties from theoretical calculations
inferred← citeshttps://doi.org/10.1016/j.jphotochem.2024.115724openalex-snapshot
Highly selective Gd(III) fluorimetric sensor based on thiosemicarbazone Scaffold: A dual function ensemble for fluorescence and naked eye sensing of CN− and H2PO4− anions
inferred← citeshttps://doi.org/10.1016/j.jphotochem.2024.115885openalex-snapshot
4′–phenyl −2, 2′: 6′, 2′’-terpyridine derivatives as metal chemosensors. Chelation and fluorescence capabilities towards Zn(II), Cd(II), and Hg(II) from experiment and theory
inferred← citeshttps://doi.org/10.1016/j.mineng.2024.108968openalex-snapshot
The relationship between protons and the aqueous oxidation of pyrite by molecular oxygen
inferred← citeshttps://doi.org/10.1016/j.molstruc.2005.09.017openalex-snapshot
A density functional study of the electronic and geometrical structures of [RuCl2(PPh3)2(HPz)2] isomers and electronic spectrum of cis, cis, cis complex
inferred← citeshttps://doi.org/10.1016/j.molstruc.2009.02.001openalex-snapshot
Spectroscopic and theoretical study of 1,2,4-triazole-3-one based salicylaldimine complexes and evaluation of superoxide-scavenging properties
inferred← citeshttps://doi.org/10.1016/j.molstruc.2019.02.032openalex-snapshot
Structural effect on the central cavity of a pendent 12N3 macrocycle on bonding and photophysical properties of Eu3+ and Tb3+ complexes: Experimental and theoretical study
inferred← citeshttps://doi.org/10.1016/j.molstruc.2021.131436openalex-snapshot
Design, synthesis, spectroscopic, photophysical and computational studies of a C3-symmetric hydroxyquinoline based tripod: TREN2OX and its interaction with Fe(III) and Al(III)
inferred← citeshttps://doi.org/10.1016/j.optmat.2005.08.032openalex-snapshot
Theoretical studies of electronic structures, absorption and emission spectra in cyclometalated phenylpyridine Ir(III) complex and its derivatives using density functional theory
inferred← citeshttps://doi.org/10.1016/j.poly.2005.03.092openalex-snapshot
Synthesis and characterization of [RuCl2(picoline)4] complexes: Crystal structure of [RuCl2(β-pic)4]
inferred← citeshttps://doi.org/10.1016/j.poly.2005.06.053openalex-snapshot
Reaction of [(C6H6)RuCl2]2 with 7,8-benzoquinoline and 8-hydroxyquinoline
inferred← citeshttps://doi.org/10.1016/j.poly.2007.05.026openalex-snapshot
The reactions of 8-hydroxyquinoline with [RuHCl(CO)(PPh3)3]: A new ruthenium(II) carbonyl complex with a N-donor ligand
inferred← citeshttps://doi.org/10.1016/j.poly.2008.05.028openalex-snapshot
A europium(II) complex with bis-pyridino-18-crown-6
inferred← citeshttps://doi.org/10.1016/j.poly.2009.08.035openalex-snapshot
Synthesis, spectroscopic and structural characterizations of two new complexes of ruthenium with 2-(hydroxymethyl)benzimidazole and 1,10-phenanthroline ligands
inferred← citeshttps://doi.org/10.1016/j.poly.2009.12.007openalex-snapshot
Synthesis, spectroscopic and structural characterization of new complex of ruthenium(II) with Hmtpo ligand
inferred← citeshttps://doi.org/10.1016/j.poly.2012.10.049openalex-snapshot
Aqua(ethylenedisulfonato)europium(II) [Eu(O3SC2H4SO3)(H2O)] – Structure, spectroscopy and magnetic properties
inferred← citeshttps://doi.org/10.1016/j.poly.2022.116191openalex-snapshot
Experimental and theoretical studies on coordination of a flexible cyclohexane based C3-symmetric tripodal ligand with iron, aluminum and gallium
inferred← citeshttps://doi.org/10.1016/j.rechem.2023.101201openalex-snapshot
Unraveling the delayed fluorescence mechanism of copper(I) halide-phosphine emitters from DFT calculations
inferred← citeshttps://doi.org/10.1016/j.saa.2005.12.002openalex-snapshot
Modelling of UV-molecular spectra of several bis-pyrazolopyridines derivatives
inferred← citeshttps://doi.org/10.1016/j.saa.2014.12.030openalex-snapshot
Novel olefinic-centered macroacyclic compounds involving tetrasubstituted 4-hydroxybenzoic acid fragments: Synthesis, structural characterization and comparison of experimental and computational results
inferred← citeshttps://doi.org/10.1016/j.saa.2019.117550openalex-snapshot
Rational design of visible light panchromatic absorption laser dye molecules: The first principle study
inferred← citeshttps://doi.org/10.1016/j.saa.2024.125053openalex-snapshot
Electronic structure of light-induced nitrosyl linkage isomers revealed by X-ray absorption spectroscopy at Ru L3,2-edges
inferred← citeshttps://doi.org/10.1016/j.susc.2013.07.028openalex-snapshot
Mo(CO)6 dissociation on Cu(111) stimulated by a Scanning Tunneling Microscope
inferred← citeshttps://doi.org/10.1016/j.synthmet.2005.07.091openalex-snapshot
Theoretical studies of ground and excited electronic states of complexes M(CO)4(phen) (M = Cr, Mo, W; phen = 1,10-phenanthroline)
inferred← citeshttps://doi.org/10.1016/j.theochem.2004.12.040openalex-snapshot
Theoretical studies of ground and excited electronic states of OLED material bis(2-methyl-8-quinolinolato)gallium(iii) chlorine
inferred← citeshttps://doi.org/10.1016/j.theochem.2005.09.021openalex-snapshot
Density functional theory study of W (n=2–4) clusters
inferred← citeshttps://doi.org/10.1016/j.theochem.2010.03.037openalex-snapshot
Theoretical studies on structures and spectroscopic properties of 10-hydroxybenzo[h]quinoline zinc(II) and its derivatives substituted by cyano-groups
inferred← citeshttps://doi.org/10.1016/j.ymeth.2023.11.008openalex-snapshot
Pyrogallol-based dipodal optical probe as new smart analytical tool for sustainable detection of cobalt in biosystem
inferred← citeshttps://doi.org/10.1016/s0009-2614(01)00361-xopenalex-snapshot
Time-dependent DFT study on electronic states of vanadium and molybdenum oxide molecules
inferred← citeshttps://doi.org/10.1016/s0010-8545(00)00308-8openalex-snapshot
The life and times of excited states of organometallic and coordination compounds
inferred← citeshttps://doi.org/10.1016/s0010-8545(02)00094-2openalex-snapshot
Ruthenium d-orbital delocalization in bis(bipyridine)ruthenium derivatives of redox active quinonoid ligands
inferred← citeshttps://doi.org/10.1016/s0010-8545(02)00287-4openalex-snapshot
Double perturbation theory: a powerful tool in computational coordination chemistry
inferred← citeshttps://doi.org/10.1016/s0010-8545(02)00295-3openalex-snapshot
Electronic spectroscopy and photoreactivity in transition metal complexes
inferred← citeshttps://doi.org/10.1016/s0020-1693(01)00308-5openalex-snapshot
Time-resolved emission spectra and TD-DFT excited-state calculations of [W(CO)4(1,10-phenanthroline)] and [W(CO)4(3,4,7,8-tetramethyl-1,10-phenanthroline)]
inferred← citeshttps://doi.org/10.1016/s0022-328x(01)00849-xopenalex-snapshot
Metal–metal interaction in polynuclear complexes with cyanide bridges: synthesis, characterisation, and theoretical studies
inferred← citeshttps://doi.org/10.1016/s0022-328x(01)01079-8openalex-snapshot
Electronic structure and spectra of ruthenium diimine complexes by density functional theory and INDO/S. Comparison of the two methods
inferred← citeshttps://doi.org/10.1016/s0301-0104(00)00198-1openalex-snapshot
Conical intersections, pseudorotation and coherent oscillations in ultrafast photodissociation of group-6 metal hexacarbonyls
inferred← citeshttps://doi.org/10.1016/s0898-8838(10)62009-0openalex-snapshot
Vibronic Coupling In Inorganic Systems: Photochemistry, Conical Intersections, And The Jahn–Teller And Pseudo-Jahn–Teller Effects
inferred← citeshttps://doi.org/10.1016/s1003-6326(20)65351-1openalex-snapshot
Oxidation of chalcopyrite in air-equilibrated acidic solution: Inhibition with phenacyl derivatives
inferred← citeshttps://doi.org/10.1016/s1076-5670(06)43001-9openalex-snapshot
Electron‐Beam–Induced Nanometer‐Scale Deposition
inferred← citeshttps://doi.org/10.1016/s1380-7323(05)80020-2openalex-snapshot
Density Functional Methods for Excited States: Equilibrium Structure and Electronic Spectra
inferred← citeshttps://doi.org/10.1016/s1381-1169(03)00366-2openalex-snapshot
Tailoring transition metal complexes for non linear optics applications A theoretical investigation of the electronic structure of M(CO)xClyL complexes (M = Cr, W, Re, Ru, Os, Rh, Ir; L = Pyz, PyzBF3, BPE, BPEBF3)
inferred← citeshttps://doi.org/10.1021/acs.bioconjchem.0c00691openalex-snapshot
Structural Investigations, Cellular Imaging, and Radiolabeling of Neutral, Polycationic, and Polyanionic Functional Metalloporphyrin Conjugates
inferred← citeshttps://doi.org/10.1021/acs.chemrev.6b00204openalex-snapshot
Photochemistry of Transition Metal Hydrides
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.1c00257openalex-snapshot
Complexation of Lanthanides and Heavy Actinides with Aqueous Sulfur-Donating Ligands
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.1c01367openalex-snapshot
Variational Energy Decomposition Analysis of Charge-Transfer Interactions between Metals and Ligands in Carbonyl Complexes
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.5b01203openalex-snapshot
Electronic Excited States of Tungsten(0) Arylisocyanides
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.5b02203openalex-snapshot
Structural Characterization of Thermochromic and Spin Equilibria in Solid-State Ni(detu)4Cl2 (detu = N,N′-Diethylthiourea)
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.6b02759openalex-snapshot
Hexacarbonyls of Mo, W, and Sg: Metal–CO Bonding Revisited
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.8b00149openalex-snapshot
Understanding the Origin of Phosphorescence in Bismoles: A Synthetic and Computational Study
inferred← citeshttps://doi.org/10.1021/acs.jctc.6b00714openalex-snapshot
Cumulant Approximated Second-Order Perturbation Theory Based on the Density Matrix Renormalization Group for Transition Metal Complexes: A Benchmark Study
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.6b00088openalex-snapshot
Detection ofin VitroMetabolite Formation of Leflunomide: A Fluorescence Dynamics and Electronic Structure Study
inferred← citeshttps://doi.org/10.1021/acs.jpca.4c00646openalex-snapshot
Ultrafast Excited-State Nonadiabatic Dynamics in Pt(II) Donor–Bridge–Acceptor Assemblies: A Quantum Approach for Optical Control
inferred← citeshttps://doi.org/10.1021/acs.jpca.5b08047openalex-snapshot
Structural Properties and UV–Visible Absorption Spectroscopy of Retinal-pyridyl-CN Re(I) Carbonyl Bipyridine Complex: A Theoretical Study
inferred← citeshttps://doi.org/10.1021/acs.jpca.6b06438openalex-snapshot
Electronic and Photophysical Properties of [Re (L)(CO) 3 (phen)] + and [Ru(L) 2 (bpy) 2 ] 2+ (L = imidazole), Building Units for Long-Range Electron Transfer in Modified Blue Copper Proteins
inferred← citeshttps://doi.org/10.1021/acs.organomet.8b00676openalex-snapshot
Group 6 Metal Complexes as Electrocatalysts of CO2 Reduction: Strong Substituent Control of the Reduction Path of [Mo(η3-allyl)(CO)2(x,x′-dimethyl-2,2′-bipyridine)(NCS)] (x = 4–6)
inferred← citeshttps://doi.org/10.1021/acsomega.7b00380openalex-snapshot
Mechanistic Study for the Photochemical Reactions of d6 M(CO)5(CS) (M = Cr, Mo, and W) Complexes
inferred← citeshttps://doi.org/10.1021/cg800512kopenalex-snapshot
Pseudopolymorphism in Nickel(II) Complexes with 6-Methylpicolinate. Synthesis, Structural, Spectroscopic, Thermal, and Density Functional Theory Studies
inferred← citeshttps://doi.org/10.1021/cm0012318openalex-snapshot
2-Methyl-1-hexen-3-yne Lewis Base Stabilized β-Diketonate Copper(I) Complexes: X-ray Structures, Theoretical Study, and Low-Temperature Chemical Vapor Deposition of Copper Metal
inferred← citeshttps://doi.org/10.1021/ct200597hopenalex-snapshot
Multiconfigurational Second-Order Perturbation Theory Restricted Active Space (RASPT2) Studies on Mononuclear First-Row Transition-Metal Systems
inferred← citeshttps://doi.org/10.1021/ct200640qopenalex-snapshot
RASPT2/RASSCF vs Range-Separated/Hybrid DFT Methods: Assessing the Excited States of a Ru(II)bipyridyl Complex
inferred← citeshttps://doi.org/10.1021/ct300932nopenalex-snapshot
Theoretical Investigation of the Electronic Structure of Fe(II) Complexes at Spin-State Transitions
inferred← citeshttps://doi.org/10.1021/ct400743ropenalex-snapshot
Implementation of Two-Component Time-Dependent Density Functional Theory in TURBOMOLE
inferred← citeshttps://doi.org/10.1021/ct400994xopenalex-snapshot
Correlation Energies from the Two-Component Random Phase Approximation
inferred← citeshttps://doi.org/10.1021/ct500846nopenalex-snapshot
Quantum Chemical Interpretation of Ultrafast Luminescence Decay and Intersystem Crossings in Rhenium(I) Carbonyl Bipyridine Complexes
inferred← citeshttps://doi.org/10.1021/ct8000409openalex-snapshot
Revised Basis Sets for the LANL Effective Core Potentials
inferred← citeshttps://doi.org/10.1021/ic0107532openalex-snapshot
Gas-Phase Photofragmentation of Tris(methyl vinyl ketone) Tungsten(0) and the Relationship to Laser-Assisted CVD of Tungsten Oxide Thin Films
inferred← citeshttps://doi.org/10.1021/ic011210vopenalex-snapshot
Structural Basis for Unusually Long Wavelength Charge Transfer Transitions in Complexes [MCl(ECH2CH2NMe2)(PR3)] (E = Te, Se; M = Pt, Pd): Experimental Results and TD-DFT Calculations
inferred← citeshttps://doi.org/10.1021/ic0203062openalex-snapshot
Luminescence of the Nonclassical Homoleptic Metal Carbonyl Complex [Rh(CO)4]+
inferred← citeshttps://doi.org/10.1021/ic020580wopenalex-snapshot
Density Functional Calculations on Electronic Circular Dichroism Spectra of Chiral Transition Metal Complexes
inferred← citeshttps://doi.org/10.1021/ic0262942openalex-snapshot
Comparative Theoretical Investigation of the Vertical Excitation Energies and the Electronic Structure of [Mo V OCl 4 ] - : Influence of Basis Set and Geometry
inferred← citeshttps://doi.org/10.1021/ic034997topenalex-snapshot
On the Origin of the Optical Activity in the d−d Transition Region of Tris-Bidentate Co(III) and Rh(III) Complexes
inferred← citeshttps://doi.org/10.1021/ic035089zopenalex-snapshot
Excited-State Characters and Dynamics of [W(CO) 5 (4-cyanopyridine)] and [W(CO) 5 (piperidine)] Studied by Picosecond Time-Resolved IR and Resonance Raman Spectroscopy and DFT Calculations: Roles of W → L and W → CO MLCT and LF Excited States Revised
inferred← citeshttps://doi.org/10.1021/ic035112gopenalex-snapshot
Structure, Energetics, and Bonding of First Row Transition Metal Pentazolato Complexes: A DFT Study
inferred← citeshttps://doi.org/10.1021/ic048215nopenalex-snapshot
Ligand-Field Excited States of Metal Hexacarbonyls
inferred← citeshttps://doi.org/10.1021/ic049735lopenalex-snapshot
Theoretical Studies of Ground and Excited Electronic States in a Series of Rhenium(I) Bipyridine Complexes Containing Diarylethynyl-Based Structure
inferred← citeshttps://doi.org/10.1021/ic050774mopenalex-snapshot
Syntheses, X-ray Structures, Photochemistry, Redox Properties, and DFT Calculations of Interconvertiblefac- andmer-[Mn(SPS)(CO)3] Isomers Containing a Flexible SPS-Based Pincer Ligand
inferred← citeshttps://doi.org/10.1021/ic051168uopenalex-snapshot
Synthesis, Structural Characterization, and Theoretical Studies of Gold(I) and Gold(I)−Gold(III) Thiolate Complexes: Quenching of Gold(I) Thiolate Luminescence
inferred← citeshttps://doi.org/10.1021/ic051851gopenalex-snapshot
Electronic Structures and Absorption Spectra of Linkage Isomers of Trithiocyanato (4,4‘,4‘ ‘-Tricarboxy-2,2‘:6,2‘ ‘-terpyridine) Ruthenium(II) Complexes: A DFT Study
inferred← citeshttps://doi.org/10.1021/ic061061mopenalex-snapshot
Electronic Transitions in [Re6S8X6]4- (X = Cl, Br, I): Results from Time-Dependent Density Functional Theory and Solid-State Calculations
inferred← citeshttps://doi.org/10.1021/ic070139bopenalex-snapshot
Theoretical Studies on Structures and Spectroscopic Properties of Photoelectrochemical Cell Ruthenium Sensitizers, [Ru(Hmtcterpy)(NCS)3]n− (m = 0, 1, 2, and 3; n = 4, 3, 2, and 1)
inferred← citeshttps://doi.org/10.1021/ic100413xopenalex-snapshot
Heteropolynuclear Gold Complexes with Metallophilic Interactions: Modulation of the Luminescent Properties
inferred← citeshttps://doi.org/10.1021/ic200200jopenalex-snapshot
Charge Transfer and Intraligand Excited State Interactions in Platinum-Sensitized Dithienylethenes
inferred← citeshttps://doi.org/10.1021/ic402146topenalex-snapshot
Solvent-Dependent Formation of Os(0) Complexes by Electrochemical Reduction of [Os(CO)(2,2′-bipyridine)(L)Cl2]; L = Cl–, PrCN
inferred← citeshttps://doi.org/10.1021/ic4031365openalex-snapshot
Tuning the Extended Structure and Electronic Properties of Gold(I) Thienyl Pyrazolates
inferred← citeshttps://doi.org/10.1021/ic501566uopenalex-snapshot
Synthesis, Structure, and Optical Properties of Pt(II) and Pd(II) Complexes with Oxazolyl- and Pyridyl-Functionalized DPPM-Type Ligands: A Combined Experimental and Theoretical Study
inferred← citeshttps://doi.org/10.1021/ic7007914openalex-snapshot
Electron-Structure Calculations and Bond Order Analysis Using Density Functional Theory of Cationic Dinuclear Arene Ruthenium Complexes
inferred← citeshttps://doi.org/10.1021/ic9008043openalex-snapshot
Soluble Redox-Active Polymetallic Chains [{Ru0(CO)(L)(bpy)}m]n (bpy = 2,2′-bipyridine, L = PrCN, Cl−; m = 0, −1): Electrosynthesis and Characterization
inferred← citeshttps://doi.org/10.1021/ic901519sopenalex-snapshot
Synthesis, Structure, and Photophysical Characterization of Blue-Green Luminescent Zinc Complexes Containing 2-Iminophenanthropyrrolyl Ligands
inferred← citeshttps://doi.org/10.1021/ja004166bopenalex-snapshot
Dioxygen Binding to Deoxyhemocyanin: Electronic Structure and Mechanism of the Spin-Forbidden Two-Electron Reduction of O 2
inferred← citeshttps://doi.org/10.1021/ja0108178openalex-snapshot
Molecular Structures and Excited States of CpM(CO)2 (Cp = η5-C5H5; M = Rh, Ir) and [Cl2Rh(CO)2]-. Theoretical Evidence for a Competitive Charge Transfer Mechanism
inferred← citeshttps://doi.org/10.1021/ja011786jopenalex-snapshot
Oxalate-Bridged Complexes of Dimolybdenum and Ditungsten Supported by Pivalate Ligands: (tBuCO2)3M2(μ-O2CCO2)M2(O2CtBu)3. Correlation of the Solid-State, Molecular, and Electronic Structures with Raman, Resonance Raman, and Electronic Spectral Data
inferred← citeshttps://doi.org/10.1021/ja020248jopenalex-snapshot
Perfluoroterephthalate Bridged Complexes with M−M Quadruple Bonds: (tBuCO2)3M2(μ-O2CC6F4CO2)M2(O2CtBu)3, where M = Mo or W. Studies of Solid-State, Molecular, and Electronic Structure and Correlations with Electronic and Raman Spectral Data
inferred← citeshttps://doi.org/10.1021/ja020554xopenalex-snapshot
Electronic Structure, Chemical Bond, and Optical Spectra of Metal Bis(porphyrin) Complexes: A DFT/TDDFT Study of the Bis(porphyrin)M(IV) (M = Zr, Ce, Th) Series
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