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    Title: Perylene-derivative singlet exciton fission in water solution
    Journal: Chem. Sci.
    Volume: 15
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    Title: Exploring the potential of natural orbital functionals
    Journal: Chem. Sci.
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    Title: From (Sub)Porphyrins to (Sub)Phthalocyanines: Aromaticity Signatures in the UV-Vis Absorption Spectra.
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    Volume: 63
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  • Authors: Fabian Hink, Julen Aduriz-Arrizabalaga, Xabier Lopez, Hiroaki Suga, David De Sancho, Joseph M. Rogers
    Title: Mixed Stereochemistry Macrocycle Acts as a Helix-Stabilizing Peptide N-Cap
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    Volume: 146
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    Title: Biallelic variants in SNUPN cause a limb girdle muscular dystrophy with myofibrillar-like features
    Journal: Brain
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  • Authors: HH. Cho, S. Gorgon, G. Londi, S. Giannini, C. Cho, P. Ghosh, C. Tonnelé, D. Casanova , Y. Olivier, T. K. Baikie, F. Li, D. Beljonne, N. C. Greenham, R. H. Friend and E. W. Evans
    Title: Efficient near-infrared organic light-emitting diodes with emission from spin doublet excitons
    Journal: Nature Photonics
    Volume: 18
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    Year: 2024
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  • Authors: J. Owona, D. Casanova, L. Truflandier, F. Castet, C. Tonnelé
    Title: Modeling of pressure-induced charge transfer character in piezoluminescent pyridylvinylanthracene crystals
    Journal: Journal of Materials Chemistry C
    Volume: 12
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    Title: Core-electron contributions to the magnetic response of molecules with heavy elements and their significance in aromaticity assessments
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    Title: Can Aromaticity Be Evaluated Using Atomic Partitions Based on the Hilbert Space?
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    Title: Predictive Guidelines for Electrocyclization of Dithienylethenes
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    Title: Quantum-centric supercomputing for materials science: A perspective on challenges and future directions
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    Title: Doping effects on ethane/ethylene dehydrogenation catalyzed by Pt2X nanoclusters
    Journal: ChemPhysChem
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    Title: Softmax parameterization of the occupation numbers for natural orbital functionals based on electron pairing approaches
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    Title: Physically Motivated Improvements of Variational Quantum Eigensolvers
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    Title: Hydrogen bond types which do not fit accepted definitions
    Journal: Chem. Commun.
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  • Authors: A. Fernandez-Calvo, A. Reifs, L. Saa, A. L. Cortajarena, D. De Sancho, R. Perez-Jimenez
    Title: The strongest protein binder is surprisingly labile
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    Title: APOST-3D: Chemical Concepts from Wavefunction Analysis
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  • Authors: X. Gastearena, J. M. Ugalde, G. E. Pieslinger, E. San Sebastian, E. Jiménez-Izal
    Title: Unveiling the electronic origin of lanthanide based Metal Organic Framework with ideal spin filtering capacity.
    Journal: Communications Physics
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    Title: Foreword: Large Techno Social Systems. Emergence of Social Welfare Techno Systems
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    Title: Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties
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    Title: Electronic Couplings for Triplet–Triplet Annihilation Upconversion in Crystal Rubrene
    Journal: J. Chem. Theory Comput.
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    Title: Assessing the global natural orbital functional approximation on model systems with strong correlation
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    Title: Advances in Approximate Natural Orbital Functionals: From Historical Perspectives to Contemporary Developments
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  • Authors: P. Preethalayam, J. C. Roldao, F. Castet, D. Casanova, S. Radenković and H. Ottosson
    Title: 3,4-Dimethylenecyclobutene: A Building Block for Design of Macrocycles with Excited State Aromatic Low-Lying High-Spin States
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  • Authors: S. Agrawal, B. Wang, Y. Wu, D. Casanova, and O. Prezhdo
    Title: Photocatalytic activity of dual defect modified graphitic carbon nitride is robust to tautomerism: machine learning assisted ab initio quantum dynamics
    Journal: Nanoscale
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    Title: High-throughput virtual search of small molecules for controlling the mechanical stability of human CD4
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    Title: Deciphering the chemical bond of trivalent oxygen atom in oxygen doped graphene
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    Title: Unveiling the Quantum Secrets of Triel Metal Triangles: A Tale of Stability, Aromaticity, and Relativistic Effects
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    Title: Spurious Oscillations Caused by Density Functional Appproximations: Who is to blame, Exchange or Correlation?
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    Title: Reverse intersystem crossing mechanisms in doped triangulenes
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    Title: Excited states by coupling Piris natural orbital functionals with extended random phase approximation
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    Title: Enhanced Charge Separation in Single Atom Cobalt Based Graphitic Carbon Nitride: Time Domain Ab Initio Analysis
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    Title: Understanding Aromaticity in [5]Helicene-Bridged Cyclophanes: A Comprehensive Study.
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    Title: Theoretical Insights into Bifurcated Intramolecular Dihydrogen Bonds (The Cover Feature)
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    Title: Time evolution of natural orbitals in ab initio molecular dynamics
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    Title: Small-occupation density functional correlation energy correction to wave function approximations
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    Title: Deposited PtGe clusters as active and durable catalysts for COoxidation
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    Title: An All-Purpose Measure of Electron Correlation for Multireference Diagnostics
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    Title: Second-order nonlinear optical properties of X-shaped pyrazine derivatives
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    Title: Atomistic molecular simulations of Aβ-Zn conformational ensembles
    Journal: Proteins
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