List of All Posts

Jan. 21, 2025 A New 3D NICS Method Based on ESP Mapping

Feb. 12, 2024 Gaussian 16 Calculation Task Continuation

Dec. 29, 2023 py.Aroma Version 4 Update

Nov. 09, 2023 Analyze Intermolecular Interactions by SAPT

Sep. 30, 2023 Computing Charge Transfer Rate Based on Marcus Theory Using Gaussian

Aug. 01, 2023 Hartree-Fock Exchange of DFT Functionals

Apr. 28, 2023 Natural Transition Orbitals (NTO) Analysis

Jun. 27, 2022 Impact Factor 2022

May 13, 2022 MEMO: Install Gaussian and GaussView on Linux Machine

Apr. 27, 2022 Evaluating Dissected NICS with NBO Program

Apr. 06, 2022 Install Dalton on Linux Machine

Feb. 17, 2022 Calculation of Solvation Free Energy

Spe. 12, 2021 gauMonitor v3.0.0 Update

Sep. 03, 2021 NMR Prediction with Scaling Factors

Sep. 02, 2021 Manual for Calculating NICS with NBO Program

Aug. 28, 2021 pyAroma: A Multifunction Aromaticity Analyser

Aug. 25, 2021 Install Gaussian 16 on a Mac

Jul. 02, 2021 Install ORCA 5 on Linux Machine

Jun. 25, 2021 MEMO: Simulation of EPR Spectrum with EasySpin

Jun. 22, 2021 Methods to Solve the SCF not Converged

Jun. 13, 2021 Prepare Supporting Information with CSIgen

Jun. 12, 2021 3D-ICSS Analyses with ICSSgen3D and ICSScub3D

Jun. 06, 2021 Gaussian Common Errors and Solutions

Jun. 05, 2021 Visualization of Aromaticity: GIMIC

Jun. 05, 2021 Visualization of Aromaticity: AICD

Jun. 03, 2021 EnePro: A Python Program for Drawing Energy Profile

Jun. 03, 2021 NICS Analyses with NICSgen

Jun. 03, 2021 HOMA Calculation with HOMAcalc

Jun. 02, 2021 Diradical Character Calculation

May 30, 2021 2D-ICSS Analyses with ICSSgen and ICSScsv

May 27, 2021 EPR Prediction with ORCA Program

Apr. 19, 2021 Plot Odd Electron Density