Results 21 to 30 of about 142,108 (350)

Observation of aggregation triggered by Resonance Energy Transfer (RET) induced intermolecular pairing force

Scientific Reports, 2017
In this report, we showed the existence of RET induced intermolecular pairing force by comparing their fluorescence behaviors under room illumination vs standing in dark area for either PFluAnt solution or PFluAnt&PFOBT mixture.
Xiaoyong Pan, Weizhi Wang, Lin Ke, Nan Zhang   +3 more
doaj   +1 more source

Elucidation of high permeability water among VACNFs using molecular dynamics

Scientific Reports, 2021
The cause of the high permeability in the flow of water in CNT (carbon nanotube)-based nanoscale materials remains to be elucidated. In this study, water impregnation simulations outside the VACNFs were performed using the molecular dynamics method to ...
Ryosuke Matsuzaki, Yusuke Chisaka, Tomohiro Tajiri   +2 more
doaj   +1 more source

Physical Mechanisms of Intermolecular Interactions and Cross-Space Charge Transfer in Two-Photon BDBT-TCNB Co-Crystals

Nanomaterials, 2022
Co-crystal materials formed by stacking different molecules with weak interactions are a hot research topic. In this work, we theoretically investigate the intermolecular interactions and charge transfer properties of the supramolecular BDBT-TCNB co ...
Chen Lu, Ning Li, Ying Jin, Ying Sun, Jingang Wang   +4 more
doaj   +1 more source

Tip–sample interactions: Extraction of single molecular pair potentials from force curves [PDF]

, 1996
This article describes a method for extracting the true tip–sample potential from an experimental force curve in atomic force microscopy. This potential is not the negative integral of the force curve. Rather, the potential is a more complicated function
Baldeschwieler, John D., O'Connor, Stephen D., Unger, Marc A.   +2 more
core   +1 more source

Elucidating the Intermolecular Interactions and Crystallographic Structure of Aspirin and Lactose Monohydrate by Synthonic Modelling

Chemical Engineering Transactions, 2023
This study is conducted to determine the morphologies of aspirin (ASA) and lactose monohydrate (LM) via molecular modelling tools. The simulations of the crystal morphology of ASA-LM have been made upon geometrical, lattice energy, intermolecular bonding,
Nurul ‘Atiqah Hasrin, Siti Nur’Aqilah Irwan, Norzahir Sapawe, Siti Fatimah Ibrahim   +3 more
doaj   +1 more source

Direct imaging of the induced‐fit effect in molecular self‐assembly [PDF]

, 2019
Molecular recognition is a crucial driving force for molecular self‐assembly. In many cases molecules arrange in the lowest energy configuration following a lock‐and‐key principle.
Baum, Sebastian, Corso, Martina, Franke, Katharina J., Lotze, Christian, Pascual, José I., Yang, Zechao   +5 more
core   +1 more source

Electrostatic force promoted intermolecular stacking of polymer donors toward 19.4% efficiency binary organic solar cells

Nature Communications, 2023
Conjugated polymers are generally featured with low structural order due to their aromatic and irregular structural units, which limits their light absorption and charge mobility in organic solar cells.
Zirui Gan, Liang Wang, Jinlong Cai, Chuanhang Guo, Chen Chen, Donghui Li, Yiwei Fu, Bojun Zhou, Yuandong Sun, Chenhao Liu, Jing Zhou, Dan Liu, Wei Li, Tao Wang   +13 more
doaj   +1 more source

The Monomer Electron Density Force Field (MEDFF) : a physically inspired model for noncovalent interactions [PDF]

, 2016
We propose a methodology to derive pairwise-additive noncovalent force fields from monomer electron densities without any empirical input. Energy expressions are based on the symmetry-adapted perturbation theory (SAPT) decomposition of interaction ...
Van Speybroeck, Veronique, Vandenbrande, Steven, Verstraelen, Toon, Waroquier, Michel   +3 more
core   +3 more sources

Toward transferable interatomic van der Waals interactions without electrons: The role of multipole electrostatics and many-body dispersion [PDF]

, 2014
We estimate polarizabilities of atoms in molecules without electron density, using a Voronoi tesselation approach instead of conventional density partitioning schemes.
Koch W., O. Anatole von Lilienfeld, Okabe A., Parr R. G., Szabo A., Tristan Bereau   +5 more
core   +2 more sources

Force Spectroscopy with Quantitative On-Cantilever Force Control

Proceedings, 2018
In this work we propose a method for on-cantilever force control for application in force distance (F-z) spectroscopy for intermolecular interaction sensing.
Wojciech Majstrzyk, Karolina Orlowska, Andrzej Sierakowski, Rafał Dobrowolski, Teodor Gotszalk   +4 more
doaj   +1 more source