| IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files T Verstraelen, W Adams, L Pujal, A Tehrani, BD Kelly, L Macaya, F Meng, ... Journal of Computational Chemistry 42 (6), 458-464, 2021 | 35 | 2021 |
| The dataset of covalent bond lengths resulting from the first-principle calculations TY Nikolaienko, VS Chuiko, LA Bulavin Computational and Theoretical Chemistry 1163, 112508, 2019 | 11 | 2019 |
| GBasis: A Python library for evaluating functions, functionals, and integrals expressed with Gaussian basis functions TD Kim, L Pujal, M Richer, M van Zyl, M Martínez-González, A Tehrani, ... The Journal of Chemical Physics 161 (4), 2024 | 6 | 2024 |
| The covalent radii derived from the first-principle data TY Nikolaienko, VS Chuiko, LA Bulavin Molecular Physics 118 (21-22), e1742937, 2020 | 6 | 2020 |
| PyCI: A Python-scriptable library for arbitrary determinant CI M Richer, G Sánchez-Díaz, M Martínez-González, V Chuiko, TD Kim, ... The Journal of Chemical Physics 161 (13), 2024 | 2 | 2024 |
| ModelHamiltonian: A Python-scriptable library for generating 0-, 1-, and 2-electron integrals V Chuiko, ADS Richards, G Sánchez-Díaz, M Martínez-González, ... The Journal of Chemical Physics 161 (13), 2024 | 1 | 2024 |
| A Size-Consistent Wave-function Ansatz Built from Statistical Analysis of Orbital Occupations V Chuiko, PW Ayers arXiv preprint arXiv:2304.10484, 2023 | 1 | 2023 |
| Inferring the existence of hydrogen bonds directly from statistical analysis of molecular dynamics trajectories V Chuiko, PW Ayers The Journal of Chemical Physics 161 (17), 2024 | | 2024 |
