Skip to main content
Matter Modeling
HCSthe2nd's user avatar
HCSthe2nd's user avatar
HCSthe2nd's user avatar
HCSthe2nd
  • Member for 4 years, 4 months
  • Last seen more than a month ago
  • Rio de Janeiro, Brazil
Profile Activity
Stats
327
reputation
838
reached
0
answers
3
questions
Communities
View all
About

PhD student in Inorganic Chemistry - UFRRJ

Badges
This user doesn’t have any gold badges yet.
1
silver badge
6
bronze badges
Top tags
View all tags
0
Score
3
Posts
100
Posts %
0
Score
2
Posts
67
Posts %
0
Score
1
Posts
33
Posts %
0
Score
1
Posts
33
Posts %
0
Score
1
Posts
33
Posts %
0
Score
1
Posts
33
Posts %
Top posts
question
10
Why does the S squared value have no meaning in Density Functional Theory?
Jun 16, 2021
question
7
Simulating autoionization of small molecules using DFT or AIMD
May 3, 2022
question
5
Does it make any sense to run a TD-DFT calculation with Finite-Temperature SCF active?
May 15, 2023
Top network posts
View all network posts
20
How to evaluate the heat of formation with computational chemistry?
12
Better functionals to work with transition metals
12
Can PBE (and LDA) actually be a better choice sometimes?
11
Grasping the concept of Electronic Spin, Effective Spin and Fictitious Spin
7
Changing the level of theory for organometallic compounds