An automated framework for high-throughput predictions of NMR chemical shifts within liquid solutions
Rasha Atwi, Ying Chen, Kee Sung Han, Karl T. Mueller, Vijayakumar Murugesan, Nav Nidhi Rajput
Topics & Concepts
ThroughputChemical shiftComputer scienceChemistryMaterials sciencePhysical chemistryWirelessTelecommunicationsMolecular spectroscopy and chiralityMetabolomics and Mass Spectrometry StudiesAdvanced NMR Techniques and Applications