Density Functional Theory Investigations of O Magnetic Resonance in Glutamic Acid Polymorphs
Density Functional Theory Investigations of O Magnetic Resonance in Glutamic Acid Polymorphs
3 Pagesaccelrys.com CASE STUDY 1 Use of the advanced quantum mechanical software, NMR CASTEP , allowed predictive calculations of NMR shifts for specific oxygen atoms in a solid state structure. Key Product • NMR C ASTEP Industry Sectors • Chemicals • Drug Disc o v er y Organizations • C a v endish Labor a t or y , C ambr idge • Univ ersit y of W ar wick • Univ ersit é P ier r e et M ar ie C ur ie DENSITy FUNCTIONAl ThEOR y INvESTIgATIONS OF
