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

מאת Kraka, Elfi, Cremer, Dieter
יצא לאור 2008

Quantitative Assessment of Tetrel Bonding Utilizing Vibrational Spectroscopy

מאת Sethio, Daniel, Oliveira, Vytor, Kraka, Elfi
הוצא לאור ב Molecules (2018)

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

מאת Beiranvand, Nassim, Freindorf, Marek, Kraka, Elfi
הוצא לאור ב Molecules (2021)

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

מאת Tao, Yunwen, Zou, Wenli, Nanayakkara, Sadisha, Freindorf, Marek, Kraka, Elfi
הוצא לאור ב Theor Chem Acc (2021)

Metal–Halogen Bonding Seen through the Eyes of Vibrational Spectroscopy

מאת Oliveira, Vytor P., Marcial, Bruna L., Machado, Francisco B. C., Kraka, Elfi
הוצא לאור ב 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

מאת Tao, Yunwen, Qiu, Yue, Zou, Wenli, Nanayakkara, Sadisha, Yannacone, Seth, Kraka, Elfi
הוצא לאור ב Molecules (2020)

Exceptionally Long Covalent CC Bonds—A Local Vibrational Mode Study

מאת Delgado, Alexis Antoinette Ann, Humason, Alan, Kalescky, Robert, Freindorf, Marek, Kraka, Elfi
הוצא לאור ב Molecules (2021)

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

מאת Karki, Nischal, Verma, Niraj, Trozzi, Francesco, Tao, Peng, Kraka, Elfi, Zoltowski, Brian
הוצא לאור ב Int J Mol Sci (2021)

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

מאת Verma, Niraj, Tao, Yunwen, Zou, Wenli, Chen, Xia, Chen, Xin, Freindorf, Marek, Kraka, Elfi
הוצא לאור ב Sensors (Basel) (2020)

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

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

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

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