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

door Kraka, Elfi, Cremer, Dieter
Gepubliceerd in 2008

Quantitative Assessment of Tetrel Bonding Utilizing Vibrational Spectroscopy

door Sethio, Daniel, Oliveira, Vytor, Kraka, Elfi
Gepubliceerd in Molecules (2018)

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

door Beiranvand, Nassim, Freindorf, Marek, Kraka, Elfi
Gepubliceerd in Molecules (2021)

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

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

Metal–Halogen Bonding Seen through the Eyes of Vibrational Spectroscopy

door Oliveira, Vytor P., Marcial, Bruna L., Machado, Francisco B. C., Kraka, Elfi
Gepubliceerd 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

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

Exceptionally Long Covalent CC Bonds—A Local Vibrational Mode Study

door Delgado, Alexis Antoinette Ann, Humason, Alan, Kalescky, Robert, Freindorf, Marek, Kraka, Elfi
Gepubliceerd 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

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

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

door Verma, Niraj, Tao, Yunwen, Zou, Wenli, Chen, Xia, Chen, Xin, Freindorf, Marek, Kraka, Elfi
Gepubliceerd 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

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

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

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