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 |
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 |
Sep 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 | 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 |