Personal Information
Organization / Workplace
Dallas/Fort Worth Area United States
Occupation
PhD in Computational and Theoretical Chemistry at Southern Methodist University, Dallas, TX
Industry
Education
About
I am now a PhD candidate in computational chemistry. My research interest is in rational design of molecules. My research expertise is with the chemical interactions and bonding. I am proficient in a wide range of computational chemistry methods for the simulations and modeling of various chemical systems, and conversant with the multifarious functionalities in many computational chemistry software packages. I understand well physical, organic, and biological chemistry. I possess multiple programming skills. I am structured, organized, and analytical. I have developed skills on carrying out independent research, self-organization, scientific report writing, and communications. I am versed...
Contact Details
Tags
local vibrational modes
natural hybrid orbital
second-order perturbation nbo analsysis
natural semi-localized molecular orbital
nbo charges
nbo analysis
wiberg bond order index
natural orbital
natural bond orbital
mayer's bond order index
See more
Users being followed by Dani Setiawan