Elfi Kraka - RankMe

17 papers Journal 16Unranked 1

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	A Closer Look at the FeS Heme Bonds in J. Comput. Chem. Marek Freindorf, Elfi Kraka
2025	J	`jnl`	Chemical Bond Overlap Descriptors From Multiconfiguration Wavefunctions. J. Comput. Chem. Carlos Vital dos Santos Júnior, Elfi Kraka, Renaldo T. Moura Jr.
2024	J	`jnl`	Chemical bonding in Uranium-based materials: A local vibrational mode case study of Cs 2 UO 2 Cl 4 and UCl 4 crystals. J. Comput. Chem. Filippo Bodo, Alessandro Erba, Elfi Kraka, Renaldo T. Moura Jr.
2024	J	`jnl`	Iron-histidine bonding in bishistidyl hemoproteins-A local vibrational mode study. J. Comput. Chem. Marek Freindorf, Juliana J. Antonio, Elfi Kraka
2024	J	`jnl`	SmartCADD: AI-QM Empowered Drug Discovery Platform with Explainability. J. Chem. Inf. Model. Ayesh Madushanka, Eli J. Laird, Corey Clark, Elfi Kraka
2024	J	`jnl`	Unraveling the effect of aromaticity for the dynamics of excited states of single benzene fluorophores. J. Comput. Chem. Michael Filatov, Vladimir A. Mironov, Elfi Kraka
2023	—	`conf`	XInsight: Revealing Model Insights for GNNs with Flow-Based Explanations. xAI (2) Eli J. Laird, Ayesh Madushanka, Elfi Kraka, Corey Clark
2023	J	`jnl`	XInsight: Revealing Model Insights for GNNs with Flow-based Explanations. CoRR Eli J. Laird, Ayesh Madushanka, Elfi Kraka, Corey Clark
2022	J	`jnl`	CO bonding in hexa- and pentacoordinate carboxy-neuroglobin: A quantum mechanics/molecular mechanics and local vibrational mode study. J. Comput. Chem. Marek Freindorf, Alexis Antoinette Ann Delgado, Elfi Kraka
2021	J	`jnl`	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. Sadisha Nanayakkara, Yunwen Tao, Elfi Kraka
2021	J	`jnl`	Deep Learning-Based Ligand Design Using Shared Latent Implicit Fingerprints from Collaborative Filtering. J. Chem. Inf. Model. Raghuram Srinivas, Niraj Verma, Elfi Kraka, Eric C. Larson
2020	J	`jnl`	A Critical Evaluation of Vibrational Stark Effect (VSE) Probes with the Local Vibrational Mode Theory. Sensors Niraj Verma, Yunwen Tao, Wenli Zou, Xia Chen, Xin Chen, Marek Freindorf, Elfi Kraka
2020	J	`jnl`	Equilibrium Geometries, Adiabatic Excitation Energies and Intrinsic C=C/C-H Bond Strengths of Ethylene in Lowest Singlet Excited States Described by TDDFT. Symmetry Yunwen Tao, Linyao Zhang, Wenli Zou, Elfi Kraka
2018	J	`jnl`	Correlating the vibrational spectra of structurally related molecules: A spectroscopic measure of similarity. J. Comput. Chem. Yunwen Tao, Wenli Zou, Dieter Cremer, Elfi Kraka
2016	J	`jnl`	Re-evaluation of the bond length-bond strength rule: The stronger bond is not always the shorter bond. J. Comput. Chem. Elfi Kraka, Dani Setiawan, Dieter Cremer
2001	J	`jnl`	The para-didehydropyridine, para-didehydropyridinium, and related biradicals - a contribution to the chemistry of enediyne antitumor drugs. J. Comput. Chem. Elfi Kraka, Dieter Cremer
1997	J	`jnl`	Diabatic ordering of vibrational normal modes in reaction valley studies. J. Comput. Chem. Zoran Konkoli, Dieter Cremer, Elfi Kraka

Nicolò Altamura, Enrico Bragastini, Marco Campion, Mila Dalla Preda

Chang Liu, Noah Fleischmann, Nicolò Altamura, Edward Raff, James Holt, Kristopher Micinski