Jesse Quinn

2 Questions 4 Answers 0 Followers

Questions related from Jesse Quinn

No negative frequency found but no stationary point found after freq check using Gaussian?

Using the following punch line: # OPT=(Tight) freq b3lyp/6-31g(d) Int=(Grid=Ultrafine) CPHF=(Grid=Fine) Guess=save geom=connectivity I reach a stationary point: Maximum Force 0.000000 0.000015 YES...

01 January 2017 8,957 6 View

How to properly calculate the number average (Mn) of a step growth polymizeration (type II) with the addition of a mono functional reactant?

Without performing experimental characterization such as GPC based on the known quantities such as moles of monomers and monofunctional reactant (end-capper) can i assume the following is correct...

09 September 2016 1,874 2 View