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

por Kraka, Elfi, Cremer, Dieter
Publicado 2008

Quantitative Assessment of Tetrel Bonding Utilizing Vibrational Spectroscopy

por Sethio, Daniel, Oliveira, Vytor, Kraka, Elfi
Publicado 2018

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

por Beiranvand, Nassim, Freindorf, Marek, Kraka, Elfi
Publicado 2021

Uranium: The Nuclear Fuel Cycle and Beyond

por Costa Peluzo, Bárbara Maria Teixeira, Kraka, Elfi
Publicado 2022

Quantum Mechanical Assessment of Protein–Ligand Hydrogen Bond Strength Patterns: Insights from Semiempirical Tight-Binding and Local Vibrational Mode Theory

por Madushanka, Ayesh, Moura, Renaldo T., Verma, Niraj, Kraka, Elfi
Publicado 2023

Papaya Leaf Extracts as Potential Dengue Treatment: An In-Silico Study

por Madushanka, Ayesh, Verma, Niraj, Freindorf, Marek, Kraka, Elfi
Publicado 2022

Dihydrogen Bonding—Seen through the Eyes of Vibrational Spectroscopy

por Freindorf, Marek, McCutcheon, Margaret, Beiranvand, Nassim, Kraka, Elfi
Publicado 2022

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

por Tao, Yunwen, Zou, Wenli, Nanayakkara, Sadisha, Freindorf, Marek, Kraka, Elfi
Publicado 2021

Metal–Halogen Bonding Seen through the Eyes of Vibrational Spectroscopy

por Oliveira, Vytor P., Marcial, Bruna L., Machado, Francisco B. C., Kraka, Elfi
Publicado 2019

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

por Tao, Yunwen, Qiu, Yue, Zou, Wenli, Nanayakkara, Sadisha, Yannacone, Seth, Kraka, Elfi
Publicado 2020

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

por Karki, Nischal, Verma, Niraj, Trozzi, Francesco, Tao, Peng, Kraka, Elfi, Zoltowski, Brian
Publicado 2021

Exceptionally Long Covalent CC Bonds—A Local Vibrational Mode Study

por Delgado, Alexis Antoinette Ann, Humason, Alan, Kalescky, Robert, Freindorf, Marek, Kraka, Elfi
Publicado 2021

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

por Verma, Niraj, Tao, Yunwen, Zou, Wenli, Chen, Xia, Chen, Xin, Freindorf, Marek, Kraka, Elfi
Publicado 2020

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

por Verma, Niraj, Qu, Xingming, Trozzi, Francesco, Elsaied, Mohamed, Karki, Nischal, Tao, Yunwen, Zoltowski, Brian, Larson, Eric C., Kraka, Elfi
Publicado 2021

Dynamics of the Energy Transfer Process in Eu(III) Complexes Containing Polydentate Ligands Based on Pyridine, Quinoline, and Isoquinoline as Chromophoric Antennae

por Carneiro Neto, Albano N., Moura, Renaldo T., Carlos, Luís D., Malta, Oscar L., Sanadar, Martina, Melchior, Andrea, Kraka, Elfi, Ruggieri, Silvia, Bettinelli, Marco, Piccinelli, Fabio
Publicado 2022