Bonding in Mercury-Alkali Molecules: Orbital-driven van der Waals Complexes

di Kraka, Elfi, Cremer, Dieter
Pubblicazione 2008

Quantitative Assessment of Tetrel Bonding Utilizing Vibrational Spectroscopy

di Sethio, Daniel, Oliveira, Vytor, Kraka, Elfi
Pubblicato in Molecules (2018)

Hydrogen Bonding in Natural and Unnatural Base Pairs—A Local Vibrational Mode Study

di Beiranvand, Nassim, Freindorf, Marek, Kraka, Elfi
Pubblicato in Molecules (2021)

A revised formulation of the generalized subsystem vibrational analysis (GSVA)

di Tao, Yunwen, Zou, Wenli, Nanayakkara, Sadisha, Freindorf, Marek, Kraka, Elfi
Pubblicato in Theor Chem Acc (2021)

Metal–Halogen Bonding Seen through the Eyes of Vibrational Spectroscopy

di Oliveira, Vytor P., Marcial, Bruna L., Machado, Francisco B. C., Kraka, Elfi
Pubblicato in Materials (Basel) (2019)

In Situ Assessment of Intrinsic Strength of X-I⋯OA-Type Halogen Bonds in Molecular Crystals with Periodic Local Vibrational Mode Theory

di Tao, Yunwen, Qiu, Yue, Zou, Wenli, Nanayakkara, Sadisha, Yannacone, Seth, Kraka, Elfi
Pubblicato in Molecules (2020)

Exceptionally Long Covalent CC Bonds—A Local Vibrational Mode Study

di Delgado, Alexis Antoinette Ann, Humason, Alan, Kalescky, Robert, Freindorf, Marek, Kraka, Elfi
Pubblicato in Molecules (2021)

Predicting Potential SARS-COV-2 Drugs—In Depth Drug Database Screening Using Deep Neural Network Framework SSnet, Classical Virtual Screening and Docking

di Karki, Nischal, Verma, Niraj, Trozzi, Francesco, Tao, Peng, Kraka, Elfi, Zoltowski, Brian
Pubblicato in Int J Mol Sci (2021)

A Critical Evaluation of Vibrational Stark Effect (VSE) Probes with the Local Vibrational Mode Theory

di Verma, Niraj, Tao, Yunwen, Zou, Wenli, Chen, Xia, Chen, Xin, Freindorf, Marek, Kraka, Elfi
Pubblicato in Sensors (Basel) (2020)

Cesium fluoride and tetra-n-butylammonium fluoride mediated 1,4-N→O shift of disubstituted phenyl ring of a bicalutamide derivative

di Patil, Renukadevi, Li, Wei, Ross, Charles R., Kraka, Elfi, Cremer, Dieter, Mohler, Michael L., Dalton, James T., Miller, Duane D.
Pubblicazione 2006

SSnet: A Deep Learning Approach for Protein-Ligand Interaction Prediction

di Verma, Niraj, Qu, Xingming, Trozzi, Francesco, Elsaied, Mohamed, Karki, Nischal, Tao, Yunwen, Zoltowski, Brian, Larson, Eric C., Kraka, Elfi
Pubblicato in Int J Mol Sci (2021)