Elfi Kraka
Orcid: 0000-0002-9658-5626
According to our database1,
Elfi Kraka
authored at least 11 papers
between 1997 and 2024.
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Bibliography
2024
J. Comput. Chem., April, 2024
2023
Proceedings of the Explainable Artificial Intelligence, 2023
2022
CO bonding in hexa- and pentacoordinate carboxy-neuroglobin: A quantum mechanics/molecular mechanics and local vibrational mode study.
J. Comput. Chem., 2022
2021
Deep Learning-Based Ligand Design Using Shared Latent Implicit Fingerprints from Collaborative Filtering.
J. Chem. Inf. Model., 2021
Comment on "Exploring nature and predicting strength of hydrogen bonds: A correlation analysis between atoms-in-molecules descriptors, binding energies, and energy components of symmetry-adapted perturbation theory".
J. Comput. Chem., 2021
2020
Equilibrium Geometries, Adiabatic Excitation Energies and Intrinsic C=C/C-H Bond Strengths of Ethylene in Lowest Singlet Excited States Described by TDDFT.
Symmetry, 2020
A Critical Evaluation of Vibrational Stark Effect (VSE) Probes with the Local Vibrational Mode Theory.
Sensors, 2020
2018
Correlating the vibrational spectra of structurally related molecules: A spectroscopic measure of similarity.
J. Comput. Chem., 2018
2016
Re-evaluation of the bond length-bond strength rule: The stronger bond is not always the shorter bond.
J. Comput. Chem., 2016
2001
The para-didehydropyridine, para-didehydropyridinium, and related biradicals - a contribution to the chemistry of enediyne antitumor drugs.
J. Comput. Chem., 2001
1997
J. Comput. Chem., 1997