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Questions related from Muxue Zhang
Is there any literature that has reported the partition coefficient of boron (H3BO3) in the reverse osmosis (RO) membrane? The partition coefficient is the ratio of the boron concentration in the...
06 June 2017 5,959 2 View
It seems that the Gaussian output provides the Cavity area only. Is it possible for using Gaussian to get accessible surface area for organic compounds? Do I need to add any keyword in the input...
03 March 2017 3,269 3 View
I want to know the Wallclock time, or the start time and the end time, of the job run by Gaussian09. Should I include any keyword in the input file? Or there is any other way to know the wallclock...
09 September 2016 7,611 0 View
I want to use CCSD(T) and wPBEh methods to calculate the thermalchemical properties of my molecules. For the CCSD(T), My root line is %nprocshared=4%nprocshared=4%mem=28GB%chk=PA2-CF-C.chk#p...
08 August 2016 6,951 2 View
I am trying to search the conformers of my reactants by using Spartan software. I just see one output that displays the properties and Cartesian coordinates of the molecule, but I want to see all...
05 May 2016 1,569 1 View
How to write the keywords in the input file to obtain the molecular volume and free energy under specific temperature. Could you write the keywords (temperature and volume test) as how I should...
04 April 2016 7,250 4 View
Considering the original meaning of Taft number and Hammett number, why can these two numbers sometimes be used in predicting the rejection of NF or RO membranes to indicate the hydrogen bond...
01 January 2016 6,918 2 View
