Results 11 to 20 of about 3,100,919 (260)

Intermolecular Interactions in Ionic Complexes [PDF]

CHIMIA, 1999
Intermolecular interactions and microsolvation effects in isolated charged complexes are investigated by high-resolution infrared spectroscopy and quantum-chemical calculations.
Otto Dopfer
doaj   +2 more sources

Manipulating intermolecular interactions for ultralong organic phosphorescence

Aggregate, 2023
Ultralong organic phosphorescence (UOP) materials have received considerable attention in the field of organic optoelectronics due to their long lifetime, high exciton utilization, large Stokes shift, and so on.
Suzhi Cai, Xiaokang Yao, Huili Ma, Huifang Shi, Zhongfu An   +4 more
doaj   +2 more sources

Analysis of Protein-Protein Interactions for Intermolecular Bond Prediction

Molecules, 2022
Protein-protein interactions often involve a complex system of intermolecular interactions between residues and atoms at the binding site. A comprehensive exploration of these interactions can help reveal key residues involved in protein-protein ...
Justin Z. Tam, Talulla Palumbo, Julie M. Miwa, Brian Y. Chen   +3 more
doaj   +3 more sources

Quantifying intermolecular interactions of ionic liquids using cohesive energy densities [PDF]

Royal Society Open Science, 2017
For ionic liquids (ILs), both the large number of possible cation + anion combinations and their ionic nature provide a unique challenge for understanding intermolecular interactions.
Kevin R. J. Lovelock
doaj   +3 more sources

Structural insights into 3Fe–4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450

Frontiers in Molecular Biosciences, 2023
Ferredoxins are small iron–sulfur proteins and key players in essential metabolic pathways. Among all types, 3Fe–4S ferredoxins are less studied mostly due to anaerobic requirements.
Andrei Gilep, Andrei Gilep, Tatsiana Varaksa, Sergey Bukhdruker, Anton Kavaleuski, Yury Ryzhykau, Yury Ryzhykau, Sviatlana Smolskaya, Tatsiana Sushko, Kouhei Tsumoto, Kouhei Tsumoto, Irina Grabovec, Ivan Kapranov, Ivan Okhrimenko, Egor Marin, Mikhail Shevtsov, Alexey Mishin, Kirill Kovalev, Alexander Kuklin, Alexander Kuklin, Valentin Gordeliy, Leonid Kaluzhskiy, Oksana Gnedenko, Evgeniy Yablokov, Alexis Ivanov, Valentin Borshchevskiy, Valentin Borshchevskiy, Natallia Strushkevich   +27 more
doaj   +1 more source

Intermolecular Vibration Energy Transfer Process in Two CL-20-Based Cocrystals Theoretically Revealed by Two-Dimensional Infrared Spectra

Molecules, 2022
Inspired by the recent cocrystallization and theory of energetic materials, we theoretically investigated the intermolecular vibrational energy transfer process and the non-covalent intermolecular interactions between explosive compounds.
Hai-Chao Ren, Lin-Xiang Ji, Tu-Nan Chen, Xian-Zhen Jia, Rui-Peng Liu, Xiu-Qing Zhang, Dong-Qing Wei, Xiao-Feng Wang, Guang-Fu Ji   +8 more
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1,4-Dibromo-2,5-bis(phenylalkoxy)benzene Derivatives: C–Br...π(arene) Versus C–H...Br and Br...Br Interactions in the Solid State

Crystals, 2021
We have prepared and characterized 1,4-dibromo-2,5-bis(2-phenylethoxy)benzene (1) and 1,4-dibromo-2,5-bis(3-phenylpropoxy)benzene (2). Their single-crystal structures confirm that, at the molecular level, they are similar with the phenylalkoxy chains in ...
Giacomo Manfroni, Alessandro Prescimone, Edwin C. Constable, Catherine E. Housecroft   +3 more
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Intermolecular and Surface Interactions in Engineering Processes

Engineering, 2021
Interactions involving chemical reagents, solid particles, gas bubbles, liquid droplets, and solid surfaces in complex fluids play a vital role in many engineering processes, such as froth flotation, emulsion and foam formation, adsorption, and fouling ...
Jiawen Zhang, Hongbo Zeng
doaj   +1 more source

Intermolecular Non-Bonded Interactions from Machine Learning Datasets

Molecules, 2023
Accurate determination of intermolecular non-covalent-bonded or non-bonded interactions is the key to potentially useful molecular dynamics simulations of polymer systems.
Jia-An Chen, Sheng D. Chao
doaj   +1 more source

Arsenic-Involving Intermolecular Interactions in Crystal Structures: The Dualistic Behavior of As(III) as Electron-Pair Donor and Acceptor [PDF]

, 2023
The element arsenic and its compounds pollute fresh water due to their toxicity and are a significant cause of human health problems in some countries. An important way to remove arsenic from freshwater uses intermolecular-interaction-based filters, e.g.
Yaser Balmohammadi, Yaser Balmohammadi (9749190), Simon Grabowsky, Balmohammadi, Yaser, Grabowsky, Simon, Simon Grabowsky (1347333)   +5 more
core   +1 more source