2 Questions 5 Answers 0 Followers
Questions related from Deok Ho Kim
%nprocshared=4%chk=C:\Users\pselab\Desktop\Rudolph's\kitech\pt\N2O4+H2O_FREQ.chk# opt=(calcall,ts) freq b3lyp/6-31g(d,p) geom=connectivity N2O4_H2O 0 1 N -1.41580277 -0.01054232 0.00649410 O...
03 March 2017 485 1 View
I've been getting troubles to calculate some Optimization process, I'm studying with the book [Exploring Chemistry with Electronic Structure Methods] and try solving Example '3.3' Transition State...
03 March 2017 745 6 View
