CCL:G: Absolute shielding constatn of H and C in TMS for NMR chemical shift

 Sent to CCL by: "Norrby, Per-Ola" [Per-Ola.Norrby-,-astrazeneca.com]
 Just calculate tetramethylsilane (TMS) at exactly the same level, and use that
 calculated value as zero. A very rapid calculation.
 /Per-Ola
 Sent from my iPhone
 > On 1 aug. 2016, at 04:35, Renjith Raveendran Pillai renjithkadavoor *
 gmail.com <owner-chemistry###ccl.net> wrote:
 >
 >
 > Sent to CCL by: "Renjith  Raveendran Pillai"
 [renjithkadavoor:_:gmail.com]
 > Dear Friends,
 > I have calculated the SCF GIAO magnetic shiedling tensor (ppm) in DMSO
 using Gaussian09 for a chalcone derivative at b3lyp/6-311g++(d,p) level. In
 order to calculate 1H and 13 C NMR chemical shifts values theoretically, I want
 to know the values of absolute shielding constants of hydrogen and carbon.
 Anyone Please help me.
 > Regards
 > Dr. Renjith Raveendran Pillai
 > Assistant Professor
 > Univeristy of Kerala
 > Trivandrum, Kerala, India
 > email: renjithkadavoor]-[gmail.com>
 >
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