المؤلفون: Kacper Druzbicki (10188017), Rasmus Laven (10188603), Jeff Armstrong (7480377), Lorenzo Malavasi (10188609), Felix Fernandez-Alonso (7098986), Maths Karlsson (10188611)

مصطلحات موضوعية: Crystallography, Hybrid Organic-Inorganic Materials, Optical Materials, Organometallic Compounds, Computational Chemistry and Modeling, Spectroscopy (Organomet.), Theory - Organometallic, Photovoltaics, Physical and Chemical Properties, Spectroscopy (Physical Chem.), Structure, Thermodynamics (Physical Chem.), Materials Chemistry, Organometal Halide Perovskites, Inelastic Neutron Scattering Spectroscopy, Terahertz Spectroscopy Exploring Dynamics, MAPI, FAPI, Formamidinium Lead Iodide Perovskites, Methylammonium Lead Iodide, Ab Initio Modelling, CASTEP, CP2K, Solid-State DFT, VdW Interactions, Dispersion Corrections, Harmonic Lattice Dynamics, Lattice Dynamics, Phonon Calculations, Phonons

العلاقة: https://figshare.com/articles/preprint/Cation_Dynamics_and_Structural_Stabilization_in_Formamidinium_Lead_Iodide_Perovskites/14113427Test

الإتاحة: https://doi.org/10.26434/chemrxiv.14113427.v1Test

المؤلفون: Nisha Mehta (9940064), Thomas Fellowes (4562986), JONATHAN WHITE (1167242), Lars Goerigk (6752504)

مصطلحات موضوعية: Theory - Computational, density functional theory, Benchmarking Data Sets, Noncovalent Interactions, density-driven errors, Dispersion Corrections, chalcogen bond, chalcogen interactions, high-level calculations

العلاقة: https://figshare.com/articles/preprint/The_CHAL336_Benchmark_Set_How_Well_Do_Quantum-Chemical_Methods_Describe_Chalcogen-Bonding_Interactions_/13521377Test

الإتاحة: https://doi.org/10.26434/chemrxiv.13521377.v2Test

المساهمون: Rawitscher, G

المصدر: Other Information: UNCL. Orig. Receipt Date: 31-DEC-69

وصف الملف: Medium: X

الوصول الحر: http://www.osti.gov/scitech/biblio/4812827Test