Juan-Carlos Sancho-Garcia
University of Alicante
100 papers found
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Extracting dimer structures from simulations of organic-based materials using QM/MM methods
Download from www.researchgate.netSystematic Improvement of Density Functionals through Parameter-Free Hybridization Schemes
Download from rua.ua.esBis(arylene-ethynylene)- s -tetrazines: A Promising Family of n -Type Organic Semiconductors?
Download from rua.ua.esCost-Effective Force Field Tailored for Solid-Phase Simulations of OLED Materials
Download from rua.ua.esThe diene isomerization energies dataset: A difficult test for double-hybrid density functionals?
Download from rua.ua.esOptical properties of wine pigments: Theoretical guidelines with new methodological perspectives
Download from www.researchgate.netNon-parametrized functionals with empirical dispersion corrections: A happy match?
Download from www.researchgate.netCommunication: Double-hybrid functionals from adiabatic-connection: The QIDH model
Download from aip.scitation.orgπ-Stacked polyphenolic dimers: A case study using dispersion-corrected methods
Download from www.researchgate.netDiastereoselective Synthesis of C60/Steroid Conjugates
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