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Subjects: DFT calculations; hydrogen bonding; isotope effects on chemical shifts
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Source:
Hansen , P E , Darugar , V , Vakili , M & Kamounah , F S 2023 , ' Tautomerism of pyridinylbutane-1,3-diones : An NMR and DFT study ' , Magnetic Resonance in Chemistry ,
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Subjects: sesquiterpenes; DFT calculations; absolute configuration
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Source:
Van Nguyen Thien , T , Vo , T K L , Dang , P H , Ngoc , V H , Ngo , T T D , Nguyen , T M-N , Hansen , P E & That , Q T 2022 , ' Two new sesquiterpenes from the stems of Miliusa velutina ' , Natural
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Record details
Subjects: DFT calculations; Hydrogen binding; NMR spectroscopy
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Source:
Darugar , V , Vakili , M , Tayyari , S F , Hansen , P E & Kamounah , F S 2021 , ' Molecular structure, intramolecular hydrogen bond strength, vibrational assignment, and spectroscopic insight of
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Record details
Subjects: C and H NMR; alkylpyrroles; chemical shifts
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Source:
Zahn , S L V , Hammerich , O , Hansen , P E & Sauer , S P A 2021 , ' The best density functional theory functional for the prediction of 1 H and 13 C chemical shifts of protonated alkylpyrroles ' ,
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