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Keyword Connections - nbo analysis Keywords

Connection Type	Connection
Journals	journal of molecular modeling
Research Groups	No Research Group Connected
Bibliographies	[1] Comparative cation sensing properties of a newly designed urea linked ferrocene-benzimidazole dyad: a DFT study. [2] FT-IR, FT-Raman, molecular structure, first order hyperpolarizability, HOMO and LUMO analysis, MEP and NBO analysis of 3-(adamantan-1-yl)-4-(prop-2-en-1- yl)-1H-1,2,4-triazole-5(4H)-thione, a potential bioactive agent [3] Hirshfeld surface analysis and DFT studies on molecular structure, vibrational spectra, NMR chemical shifts and NBO analysis of Bis(2-hydroxyethyl(phenyl)carbamodithioate) nickel (II) [4] Substituent Effect on the Himbert Intramolecular Arene/Allene Diels-Alder Reaction: NBO Analysis and State Specific Dual Descriptors.