Output of a Diffractometer - Chemistry Stack Exchange
Aug 15, 2024 · 1 format : 86 2 version: 9 3 hdrblks: 15 4 type :scan frame 5 site :university of 6 model :platform 7 user :university of 8 sample :sucrose 9 setname:sucrose 10 run : 2 11 sampnum: 1 12 title :sucrose from 13 title : 14 title : 15 title : 16 title : 17 title : 18 title : 19 title : 20 ncounts: 7267500 0 21 noverfl: 19 22 minimum: 0 23 maximum ...
Why concurrent reading instead of mean in titration?
Dec 6, 2022 · If you want to check your overall precision the procedure is to run complete replicate samples on the one sample or [even on simultaneous replicate samples to check on the sampling technique]. Since only 2 or 3 replicates are usually run, when readings are to the first insignificant figure a simple average is sufficient and the range is a good ...
thermodynamics - What's the difference between ΔG° and ΔG ...
Sep 14, 2015 · The prime has nothing to do with whether a concentration is held constant. The prime is used to indicate that some species, typically protons or ions such as Mg, are being set to a value other than the standard 1M concentration for use in a reference free energy.
How to run a B2PLYP-D3 calculation in Gaussian 09?
Jan 19, 2017 · %nprocshared=4 %mem=4gb %chk=fohsdft3 # opt freq b2plypd3/aug-cc-pvdz scf=tight Input file taken from fohsdft 0 1 O -3.46278 2.54045 0. H -2.50278 2.54045 0. H -3.78324 3.44539 0. Since B2PLYP-D3 is a method, it goes where the density functional is normally specified.
computational chemistry - When using Gaussian to calculate NMR, …
Jul 29, 2014 · Run an NMR single-point calculation with the following route section in GAUSSIAN. #n B3LYP/6-31G(d,p) nmr=(fconly,readatoms) iop(3/10=1100000) At the end of the molecule specification (separated by a blank line) read in: atoms=H. A …
Bromination of 1,3,5-cyclooctatriene followed by nucleophilic ...
Nov 8, 2014 · Bromine (3 g) in 20 ml of chloroform was added to a stirred solution of 2 g of 1,3,5-cyclooctatriene in 20 ml of chloroform at −15 to −25° in a nitrogen atmosphere in a period of one hour. The product was distilled rapidly under reduced pressure; b.p. 95° (0.3 mm), n 25 ᴅ 1.5954.
analytical chemistry - How does the Rf value change when …
May 29, 2016 · Stack Exchange Network. Stack Exchange network consists of 183 Q&A communities including Stack Overflow, the largest, most trusted online community for developers to learn, share their knowledge, and build their careers.
Why is the Haber process carried out at such high temperatures?
Even if you consider a batch-wise process of generating ammonia (which, as orthocresol points out, isn’t the case), it is more efficient to run two batches in half the time for two sets of $15~\%$ than to run a single batch for twice the time to get an overall yield of maybe (note: This yield is a ballpark estimate) $25~\%$ — with a batch ...
Why do NMR samples require a solvent? - Chemistry Stack Exchange
Oct 2, 2016 · That's a bit like saying 'because science'. The spectrometer does not need a lock to establish a stable field. Turning off the field sweep will keep the spectrometer field stable for long enough to run all but the highest resolution experiments. "The issue with amount of substance is probably the primary reason" A 1.7mm microprobe uses 30uL of ...
organic chemistry - NH protons not appearing in H NMR …
Jan 31, 2023 · If you have integrated that peak, you'd see the integration value is more than 3-protons of the real compound. That means your compound is really wet when you take the NMR. The following diagram shows ratios of water peak to TMS and residual $\ce{CHCl3}$ peaks in a typical $\ce{CDCl3}$ (with 99.8% $\ce{D}$ and 0.05% TMS) solvent bottle (Ref.1):