ljduarte
Ph.D. in Quantum Chemistry. Interested in all fields of natural sciences and technology. Enjoys board games, playing tennis and bushcraft.
University of Sao Paulo - USPBrazil
Pinned Repositories
APT-explorer
aptwkr
This is a little dummy program which performs calculations of the invariants of Atomic Polar Tensors.
atividades_curso_simulacoes
Atividades realizadas ao decorrer do curso "Simulações de sistemas dinâmicos: da pandemia ao movimento molecular"
azamacrocycle_si
CCTDP_transition_state_tutorial
supplementary information to accompany the paper: Infrared intensities of imaginary frequencies: Gas-Phase SN2 Transition States
chemistry_of_molecular_vibrations
This is my Ph.D, thesis. Thank you very much for reading it!
COVID-19_Br_data
Number of cases of COVID-19 in Brazilian cities.
marvinc
A program designed to help you quickly integrate your infrared spectra.
REG.py
theovib
package for cctdp analysis
ljduarte's Repositories
ljduarte/REG.py
ljduarte/COVID-19_Br_data
Number of cases of COVID-19 in Brazilian cities.
ljduarte/theovib
package for cctdp analysis
ljduarte/APT-explorer
ljduarte/aptwkr
This is a little dummy program which performs calculations of the invariants of Atomic Polar Tensors.
ljduarte/atividades_curso_simulacoes
Atividades realizadas ao decorrer do curso "Simulações de sistemas dinâmicos: da pandemia ao movimento molecular"
ljduarte/azamacrocycle_si
ljduarte/CCTDP_transition_state_tutorial
supplementary information to accompany the paper: Infrared intensities of imaginary frequencies: Gas-Phase SN2 Transition States
ljduarte/chemistry_of_molecular_vibrations
This is my Ph.D, thesis. Thank you very much for reading it!
ljduarte/marvinc
A program designed to help you quickly integrate your infrared spectra.
ljduarte/Qifei-4-bit-LED-Digital-Tube-Module-for-NodeMCU-ESP-8266-Lua
Qifei 4-bit LED Digital Tube Module: function for NodeMCU ESP 8266.
ljduarte/Simulacoes.jl
ljduarte/spectrum
This script is made to demonstrate the use of the spectral representation of the t and F tests in a 2^2 factorial design, as discussed in the paper: Determination of individual metabolic abundance changes owing to environmental impacts: t and F-distribution factorial design spectral representations.
ljduarte/ycx2
Input and output files for "Characteristic substituent effect model for the infrared intensities of the X2CY (X=H, F, Cl, Br; Y=O, S) molecules"