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"A systematic benchmarking of sup 31 /sup P and sup 19 /sup F NMR che" by Peng Gao, Jie Zhang et al.

Abstract
A systematic benchmark study of phosphorus and fluorine nuclear magnetic resonance chemical shift predictions using six different density functional theory (DFT)/the gauge-including atomic orbital (GIAO) methods was conducted. Two databases were compiled: one consists of 35 phosphorus-containing molecules, which cover the most common intramolecular bonding environments of trivalent and pentavalent phosphorus atoms; the other is composed of 46 fluorine-containing molecules. The characteristics of each DFT/GIAO method with different solvent models were demonstrated in detail. The application of linear regression between the calculated isotropic shielding constants and experimental chemical shifts was applicable to improving the prediction accuracy. The best methods with the solvation model based on density (SMD) and conductor-like polarizable continuum model (CPCM) implicit solvent models for P chemical shifts predictions are able to yield a root-mean-square deviation ....

Chemical Shift , Density Functional Theory , Auge Including Atomic Orbital , Linear Regression , Nuclear Magnetic Resonance Spectroscopy , இரசாயன மாற்றம் ,

KCHO 91.7 FM/KFPR 88.9 FM [North State Public Radio] KCHO 91.7 FM/KFPR 88.9 FM [North State Public Radio] September 21, 2018 110000

RINGBACK You are in tune to n.s.p. Our North State Public Radio k c h o Chico and care of p.r. Reading listener supported public radio connecting the communities of Northern California a broadcast service of California State University Chico on the web at my n.s.p. Our daughter org. I m David Amana Welcome to the 5th floor in the coming hour Somalia s golden hour when Mogadishu sports stadium was the envy of the region mascot more voted more accurate you can i was starter so I used to say funny so yeah and I don t which mean is fairly simple go I meant I didn t order of d.v.c. Somaly on they start as blocks and building the foundation of a new regional capital why did the Chief Minister of India s Andhra Pradesh state look to a fantasy film maker for design tips plus what happens when you match a quite a mandate with a Catholic saint is always a hat always a mustache always so much touch with his mouth open so you know he is faithful can actually poured some more alcohol for him and l ....

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KHNC 1360 AM [The Lion] KHNC 1360 AM [The Lion] February 8, 2018 180000

The country of the. University or evergreen up in Washington I mean this is really going on this is. Out in front of the bank. Has a really good point and he s right. On the fringe. And we need. Part of this. And we need to bring a lot of the trip and we have a. 100000 troops. And. Combat and all the rest of it I mean I m usually the military parades or you know when World War 2. Or we pull out of Iraq. 9091. Years of what they ve done. And more than. Number of trips out of the. Military. Your local Du Pont pioneer team doesn t take with you from the word go lightly especially when it comes to forges just a history producer Joe Fetzer Professor farms pioneer has always done a very good job for us but I m very happy with the seed we don t even look for other companies will they answer questions for us and just put us on the right path to maximize our productivity on our farm or his brother Paul fester Kevin s been very passionate It was our route from Pioneer he s a lot of fun when it ....

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KDVS 90.3 FM [Surprise Valley] KDVS 90.3 FM [Surprise Valley] September 2, 2017 040000

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KKRN 88.5 FM KKRN 88.5 FM August 8, 2017 180000

That and one from the beach where they add all the funky all rock and roll so you can kind of get it of. Both sides of the incredible incredible people. It takes effort I think sometimes double the effort for Indigenous people because we have to exist in 2 worlds to an extent there s this one world where you got to go to work you got to have a car you got to put a roof over your head I mean this is the way that the world works. And then you have to completely employed from that world and sink into the old way the language the music the ceremony you know learning protocol and traditions and I truly admire those that are able to balance that luck are I guess. Here and successful in both sides of that walk so let s walk on people together and play some but I mean you are from their album. Fan Phil I going to have a little talk about the lack of creative naming for that album but we ll go with that for now I want to thank you all for listening and we ll be back with Philip Blanchett bomb ....

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