Results 81 to 90 of about 4,301,858 (301)

Intermolecular interactions in solid benzene

The Journal of Chemical Physics, 2006
The lattice dynamics and molecular vibrations of benzene and deuterated benzene crystals are calculated from force constants derived from density-functional theory (DFT) calculations and compared with measured inelastic neutron-scattering spectra. A very small change (0.5%) in lattice parameter is required to obtain real lattice-mode frequencies across
Kearley, G.J. (author), Johnson, M.R. (author), Tomkinson, J. (author)   +2 more
openaire   +5 more sources

Estudo teórico sobre o efeito de substituintes na estrutura eletrônica de supermoléculas com múltiplas ligações de hidrogênio intermoleculares [PDF]

, 2013
Dissertação (mestrado) - Universidade Federal de Santa Catarina, Centro de Ciências Físicas e Matemáticas, Programa de Pós-Graduação em Química, Florianópolis, 2013Sistemas que se conectam através de múltiplas ligações de hidrogênio são a pedra angular ...
Lopez, Alfredo Henrique Duarte
core  

Multimodal Optoelectronic Synapses for Neuromorphic Intelligence: Coupling Light, Electrical, Thermal, and Beyond

Advanced Functional Materials, EarlyView.
This review revisits optoelectronic neuromorphic devices that extend from unimodal sensing toward multimodal perception. Five types of stimuli‐to‐output information flow that are classified based on the device roles within the system and applications are summarized and discussed.
Jihyun Shin, Junhyung Cho, Wangmyung Choi, Jaehyun Hur, Jae Kyeong Jeong, Ulrike Kraft, Hocheon Yoo   +6 more
wiley   +1 more source

Non-specific Interactions Between Macromolecular Solutes in Concentrated Solution: Physico-Chemical Manifestations and Biochemical Consequences

Frontiers in Molecular Biosciences, 2019
A general thermodynamic formulation of the effect of hard and soft non-specific intermolecular interactions upon reaction equilibria is summarized. A highly simplified quantitative model for non-specific intermolecular interaction is introduced.
Travis Hoppe, Allen P. Minton
doaj   +1 more source

Intermolecular ligand receptor (MTH1) interaction spectrum of the MTH1-crizotinib complex according to the MM/GBSA analysis methods.

, 2015
Intermolecular ligand receptor (MTH1) interaction spectrum of the MTH1-crizotinib complex according to the MM/GBSA analysis methods.
Qifeng Bai (220551), Dabo Pan (630785), Huanxiang Liu (418534), Yuzhen Niu (709953), Danfeng Shi (838463), Xiaojun Yao (220558)   +5 more
core   +1 more source

Native ligand (X77)-protein (PDB structure 6W63) 2D interactions plot: Representation of intermolecular interaction between native ligand and the active site amino acid residue of the target protein.

, 2022
Native ligand (X77)-protein (PDB structure 6W63) 2D interactions plot: Representation of intermolecular interaction between native ligand and the active site amino acid residue of the target protein.
Esam I. Azhar (8781383), Leena H. Bajrai (11617159), Arwa A. Faizo (14129478), Areej A. Alkhaldy (14129481), Vivek Dhar Dwivedi (8504640)   +4 more
core   +1 more source

Concentration‐Dependent Self‐Assembly and Nanoparticle Maturation of Reflectins

Advanced Functional Materials, EarlyView.
Within squid skin, structural coloration arises from iridophores whose Bragg reflector‐like ultrastructures contain high‐refractive‐index reflectin proteins. Coarse‐grained molecular dynamics simulations and dynamic light scattering measurements reveal how concentration modulates reflectin A2 self‐assembly.
Andrew H. Cannon, Albert L. Kwansa, Nikhil Kaimal, Arsenii Panteleev, Ashlynn Zhang, Loc Nguyen, Preeta Pratakshya, Alon A. Gorodetsky, Yaroslava G. Yingling   +8 more
wiley   +1 more source

Intermolecular potential for the interaction of helium with ammonia

, 2001
Intermolecular potential for the interaction of helium with ...
MP Hodges (14860957), RJ Wheatley (14860960)   +1 more
core  

Intermolecular Interaction in Rubber Solutions

, 1959
A study has been made of the viscosities of butadiene acrylonitrile rubber solutions and of the equilibrium swelling of vulcanizates of these rubbers with the same degree of crosslinking, in various solvents.
V. A. Berestnev, V. E. Gul
core   +1 more source

Rare gas-naphthalene interaction: Intermolecular potentials and clusters’ structures

, 2021
The noncovalent intermolecular interaction of Helium, Neon and Argon with naphthalene is investigated for selected dimer configurations by means of electronic structure calculations at the MP2C level of theory and exploiting complete basis set ...
Hernández-Rojas, Javier, Pirani, Fernando, Campos-Martínez, José, García-Arroyo, Esther, Bartolomei, Massimiliano, Arteaga-Gutiérrez, Kilian, Hernández, Marta I.   +6 more
core   +1 more source