Paras Patel

4 Questions 9 Answers 0 Followers

Questions related from Paras Patel

How can I select restricted, unrestricted and open shell in Gaussian calculation?What is meant and how can I calculate it or select it in our case?

How to select Restricted, Unrestricted and open shell in gaussian calculation ? what is it mean? and how to calculate it or select it in our case ?

04 April 2015 7,163 4 View

Does anyone know how I can use maximum core for gaussian 09?

my pc configuration is Core i3 and RAM=4 my gaussian version is g09 revision-A.02 SMP So please what to write in route section for use maximum core for calculation. i am beginner in gaussian so...

04 April 2015 4,198 7 View

Can someone help in plotting 3d surface graph of mole-fractions vs excess property with my data as given below?

x1 x2 x3 excess property 0.0526 0.8550 0.0924 0.31217 0.0534 0.7591 0.1875 ...

02 February 2015 8,063 2 View

Does anyone know how to calculate the fitting coefficients of redlich-kister polynomial equation using origin software?

where A0-A4 are coefficients x is molefraction

02 February 2015 5,729 9 View