Search filters

List of works by Fanica Cimpoesu

A Binuclear Fe(III)Dy(III) Single Molecule Magnet. Quantum Effects and Models

scientific article published on 01 July 2006

Ab initio study of exchange coupling for the consistent understanding of the magnetic ordering at room temperature in V[TCNE] x

Broken symmetry DFT calculations of exchange coupling constants for manganese–porphyrin quasi-one-dimensional molecular magnets

article by Corneliu I Oprea et al published July 2012 in Theoretical Chemistry Accounts

Characterizing the E⊗e Jahn–Teller Potential Energy Surfaces by Differential Geometry Tools

scientific article published in 2022

Chiral crystallization of a heterodinuclear Ni-Ln series: comprehensive analysis of the magnetic properties

scientific article published on 21 March 2012

Comparative computational IR, Raman and phosphorescence study of Ru- and Rh-based complexes

DFT Study of Binding and Electron Transfer from a Metal-Free Dye with Carboxyl, Hydroxyl, and Sulfonic Anchors to a Titanium Dioxide Nanocluster

scholarly article by Corneliu I. Oprea et al published 2013 in International Journal of Photoenergy

DFT study of structure–properties correlations in [MnTPP][TCNE] quasi-one-dimensional molecular magnets

Density Functional Theory (DFT) Study of Coumarin-based Dyes Adsorbed on TiO₂ Nanoclusters-Applications to Dye-Sensitized Solar Cells.

scientific article published on 10 June 2013

Development and applications of the LFDFT: the non-empirical account of ligand field and the simulation of the f-d transitions by density functional theory.

scientific article

Ligand field density functional theory calculation of the 4f2→ 4f15d1 transitions in the quantum cutter Cs2KYF6:Pr3+.

scientific article published on 11 July 2013

Ligand field density functional theory for the prediction of future domestic lighting

scientific article published on July 2014

Lightest Member of the Basic Carboxylate Structural Pattern: [Al3(μ3-O)(μ-O2CCF3)6(THF)3][(Me3Si)3CAl(O2CCF3)3]·C7H8

scientific article published on 01 February 2002

Lone-Pair-Electron-Driven Ionic Displacements in a Ferroelectric Metal-Organic Hybrid

scientific article published on 27 September 2016

Magnetic anisotropy and molecular assembling in d complex cation–f complex anion type coordination compounds

Mechanism of ferromagnetic coupling in copper(II)-gadolinium(III) complexes.

scientific article published in March 2004

Metal-Organic Frameworks with d–f Cyanide Bridges: Structural Diversity, Bonding Regime, and Magnetism

article

Molecular and Supramolecular Interactions in Systems with Nitroxide-Based Radicals

scientific article published on 24 September 2019

Monte Carlo Simulations of the Magnetic Behavior, Ordering Temperature and Magnetocaloric Effects in 1D, 2D and 3D Ferrimagnetic Systems.

scientific article

New Keys for Old Keywords. Case Studies within the Updated Paradigms of the Hybridization and Aromaticity

New insights in the bonding regime and ligand field in Wernerian complexes. A density functional study

Noncovalent effects in the coordination and assembling of the[Fe(bpca)2][Er(NO3)3(H2O)4]NO3 system

On The Density Functional Theory Treatment of Lanthanide Coordination Compounds: A Comparative Study in a Series of Cu-Ln (Ln = Gd, Tb, Lu) Binuclear Complexes.

scientific article published on 07 August 2017

On the thermal stability and non-isothermal decomposition kinetics of some coordination compounds of cobalt, nickel and copper with a β-dicarbonylic compound and 4-benzoylpyridine or 4,4'-dipyridyl as ligands

scholarly article by Marilena Ferbințeanu et al published July 1993 in Thermochimica Acta

Properties Design: Prediction and Experimental Validation of the Luminescence Properties of a New EuII -Based Phosphor

scientific article published on 05 October 2018

Prospecting Lighting Applications with Ligand Field Tools and Density Functional Theory: A First-Principles Account of the 4f(7)-4f(6)5d(1) Luminescence of CsMgBr3:Eu(2+).

scientific article published on 13 August 2015

Rationalization of the Lanthanide-Ion-Driven Magnetic Properties in a Series of 4f–5d Cyano-Bridged Chains

scientific article published on 26 August 2011

Spin Coupling and Magnetic Anisotropy in 1D Complexes with Manganese(III) Units and Carboxylate Bridges - Synthesis, Analysis, Calculations, and Models

Spin Coupling in the Supramolecular Structure of a New Tetra(Quinoline−TEMPO)Yttrium(III) Complex

scientific article published on 01 February 2007

Structure and Magnetism in Fe–Gd Based Dinuclear and Chain Systems. The Interplay of Weak Exchange Coupling and Zero Field Splitting Effects

scientific article published on 09 December 2011

Syntheses, structures, and surface aromaticity of the new carbaalane [(AlH)(6)(AlNMe(3))(2)(CCH(2)R)(6)] (R = Ph, CH(2)SiMe(3)) and a stepwise functionalization of the inner and outer sphere of the cluster

scientific article

Tailoring the optical properties of lanthanide phosphors: prediction and characterization of the luminescence of Pr(3+)-doped LiYF4.

scientific article

The DFT rationalization of exchange and anisotropy in one-dimensional d-p magnets: The [MnIII(porphyrin)][TCNE] case study

The angular overlap model extended for two-open-shell f and d electrons

scientific article published on 01 June 2014

The magnetic anisotropy and assembling of the lanthanide coordination units in [Fe(bpca)2][Er(NO3)3(H2O)4]NO3

article published in 2007

The theoretical account of the ligand field bonding regime and magnetic anisotropy in the DySc2N@C80 Single Ion Magnet endohedral fullerene

scientific article published on 30 April 2014

Vibrational properties of noble gas endohedral fullerenes

scientific article published on 18 April 2011

Paulina is supported by:

About Paulina

Help