scholarly article | Q13442814 |
P356 | DOI | 10.1039/C6CP04787D |
P698 | PubMed publication ID | 27722572 |
P50 | author | Andrea Vittadini | Q46060292 |
Silvia Carlotto | Q51526132 | ||
Mauro Sambi | Q58239336 | ||
P2093 | author name string | J Bartolomé | |
F Bartolomé | |||
M Casarin | |||
F Sedona | |||
P2860 | cites work | Density-functional thermochemistry. III. The role of exact exchange | Q25938987 |
Generalized Gradient Approximation Made Simple | Q25938998 | ||
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis | Q26778386 | ||
New type of auger effect and its influence on the x-ray spectrum | Q29040889 | ||
Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I | Q30049389 | ||
Chemisorption and dissociation of single oxygen molecules on Ag110. | Q33229532 | ||
Formation of stable and metastable porphyrin- and corrole-iron(IV) complexes and isomerizations to iron(III) macrocycle radical cations | Q37187243 | ||
Phthalocyanine metal complexes in catalysis | Q38115594 | ||
Porphyrins at interfaces. | Q38330021 | ||
Restricted open-shell configuration interaction cluster calculations of the L-edge X-ray absorption study of TiO(2) and CaF(2) solids | Q39185281 | ||
L-edge X-ray absorption study of mononuclear vanadium complexes and spectral predictions using a restricted open shell configuration interaction ansatz | Q39312580 | ||
A combined DFT and restricted open-shell configuration interaction method including spin-orbit coupling: application to transition metal L-edge X-ray absorption spectroscopy | Q39406423 | ||
Electronic structure of CuTPP and CuTPP(F) complexes: a combined experimental and theoretical study II. | Q39604460 | ||
Electronic structures of CuTPP and CuTPP(F) complexes. A combined experimental and theoretical study I. | Q39776248 | ||
The chemistry of porphyrin pi-cations | Q39899115 | ||
Supramolecular donor-acceptor hybrids of porphyrins/phthalocyanines with fullerenes/carbon nanotubes: electron transfer, sensing, switching, and catalytic applications | Q39956513 | ||
Electronic properties of CuPc and H2Pc: an experimental and theoretical study | Q42606180 | ||
Transition metal phthalocyanines: insight into the electronic structure from soft x-ray spectroscopy. | Q47261802 | ||
Excited states of large open-shell molecules: an efficient, general, and spin-adapted approach based on a restricted open-shell ground state wave function. | Q51242936 | ||
Accurate Coulomb-fitting basis sets for H to Rn. | Q51630624 | ||
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy. | Q51961792 | ||
Co(III) protoporphyrin IX chloride in solution: spin-state and metal coordination revealed from resonant inelastic X-ray scattering and electronic structure calculations. | Q52871039 | ||
Ab Initio Calculations of X-ray Spectra: Atomic Multiplet and Molecular Orbital Effects in a Multiconfigurational SCF Approach to the L-Edge Spectra of Transition Metal Complexes. | Q52885856 | ||
Recent progress in organic photovoltaics: device architecture and optical design | Q57379524 | ||
Carbon based materials for electronic bio-sensing | Q57764056 | ||
All-Electron Scalar Relativistic Basis Sets for Third-Row Transition Metal Atoms | Q58010047 | ||
Letters to a Young Chemist | Q58205602 | ||
P433 | issue | 40 | |
P407 | language of work or name | English | Q1860 |
P1104 | number of pages | 7 | |
P304 | page(s) | 28110-28116 | |
P577 | publication date | 2016-10-01 | |
P1433 | published in | Physical Chemistry Chemical Physics | Q3018671 |
P1476 | title | L2,3-edges absorption spectra of a 2D complex system: a theoretical modelling | |
P478 | volume | 18 |
Q45305339 | Similarity transformed equation of motion coupled-cluster theory based on an unrestricted Hartree-Fock reference for applications to high-spin open-shell systems. |
Q50227361 | The electronic properties of three popular high spin complexes [TM(acac)3, TM = Cr, Mn, and Fe] revisited: an experimental and theoretical study. |