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The furan microsolvation blind challenge for quantum chemical methods: First steps
The furan microsolvation blind challenge for quantum chemical methods: First steps
- Source :
- Journal of Chemical Physics, Journal of Chemical Physics, American Institute of Physics, 2018, 148 (1), ⟨10.1063/1.5009011⟩, The journal of chemical physics 148(1), 1-13 (2018). doi:10.1063/1.5009011, The journal of chemical physics, 148 (1), Art.Nr.: 014301
- Publication Year :
- 2018
- Publisher :
- HAL CCSD, 2018.
-
Abstract
- The journal of chemical physics 148(1), 1-13 (2018). doi:10.1063/1.5009011<br />Published by American Institute of Physics, Melville, NY
- Subjects :
- Materials science
Band gap
Chemistry & allied sciences
Chemie
General Physics and Astronomy
Infrared spectroscopy
02 engineering and technology
010402 general chemistry
01 natural sciences
Quantum chemistry
chemistry.chemical_compound
Furan
Physical and Theoretical Chemistry
ComputingMilieux_MISCELLANEOUS
Quantum chemical
Jet (fluid)
Hydrogen bond
Solvation
021001 nanoscience & nanotechnology
0104 chemical sciences
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
chemistry
Chemical physics
ddc:540
0210 nano-technology
Subjects
Details
- Language :
- English
- ISSN :
- 00219606 and 10897690
- Database :
- OpenAIRE
- Journal :
- Journal of Chemical Physics, Journal of Chemical Physics, American Institute of Physics, 2018, 148 (1), ⟨10.1063/1.5009011⟩, The journal of chemical physics 148(1), 1-13 (2018). doi:10.1063/1.5009011, The journal of chemical physics, 148 (1), Art.Nr.: 014301
- Accession number :
- edsair.doi.dedup.....676ae7d95ea5793043279537ae8b0534
- Full Text :
- https://doi.org/10.1063/1.5009011⟩