In 2020.0 ARKIVOC published article about DFT; MOLECULES; ACCURACY; ENERGIES; CCSD(T) in [de Oliveira, Marcelo T.; Alves, Julia M. A.] Univ Sao Paulo, Sao Carlos Inst Chem, Av Trabalhador Sao Carlense 400, BR-13560970 Sao Carlos, SP, Brazil; [Morais, Sara F. de A.; Braga, Ataualpa A. C.] Univ Sao Paulo, Inst Quim, Dept Quim Fundamental, Sao Paulo, SP, Brazil in 2020.0, Cited 33.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6. Recommanded Product: 67-51-6
Building on recent developments, we compare performance of two distinct protocols, namely SMD-mPW1PW91/6-311+G(2d,p) and CPCM-OLYP/pcSseg-2, for the computation of N-15 chemical shifts of nitrogenated aromatic compounds. The latter shows best overall performance (MAD 5.3 ppm) albeit results in chloroform favors the former. [GRAPHICS] .
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Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics