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

بواسطة Kraka, Elfi, Cremer, Dieter
منشور في 2008

Quantitative Assessment of Tetrel Bonding Utilizing Vibrational Spectroscopy

بواسطة Sethio, Daniel, Oliveira, Vytor, Kraka, Elfi
الحاوية / القاعدة Molecules (2018)

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

بواسطة Beiranvand, Nassim, Freindorf, Marek, Kraka, Elfi
الحاوية / القاعدة Molecules (2021)

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

بواسطة Tao, Yunwen, Zou, Wenli, Nanayakkara, Sadisha, Freindorf, Marek, Kraka, Elfi
الحاوية / القاعدة Theor Chem Acc (2021)

Metal–Halogen Bonding Seen through the Eyes of Vibrational Spectroscopy

بواسطة Oliveira, Vytor P., Marcial, Bruna L., Machado, Francisco B. C., Kraka, Elfi
الحاوية / القاعدة 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

بواسطة Tao, Yunwen, Qiu, Yue, Zou, Wenli, Nanayakkara, Sadisha, Yannacone, Seth, Kraka, Elfi
الحاوية / القاعدة Molecules (2020)

Exceptionally Long Covalent CC Bonds—A Local Vibrational Mode Study

بواسطة Delgado, Alexis Antoinette Ann, Humason, Alan, Kalescky, Robert, Freindorf, Marek, Kraka, Elfi
الحاوية / القاعدة Molecules (2021)

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

بواسطة Karki, Nischal, Verma, Niraj, Trozzi, Francesco, Tao, Peng, Kraka, Elfi, Zoltowski, Brian
الحاوية / القاعدة Int J Mol Sci (2021)

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

بواسطة Verma, Niraj, Tao, Yunwen, Zou, Wenli, Chen, Xia, Chen, Xin, Freindorf, Marek, Kraka, Elfi
الحاوية / القاعدة Sensors (Basel) (2020)

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

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

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

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