Results 41 to 50 of about 6,281,447 (337)

Optical manipulation and assembly of micro/nanoscale objects on solid substrates

open access: yesiScience, 2022
Summary: Many light-based technologies have been developed to manipulate micro/nanoscale objects such as colloidal particles and biological cells for basic research and practical applications.
Jingang Li, Ali Alfares, Yuebing Zheng
doaj   +1 more source

Roadmap of ultrafast x-ray atomic and molecular physics

open access: yes, 2018
X-ray free-electron lasers (XFELs) and table-top sources of x-rays based upon high harmonic generation (HHG) have revolutionized the field of ultrafast x-ray atomic and molecular physics, largely due to an explosive growth in capabilities in the past ...
L. Young   +26 more
semanticscholar   +1 more source

Critical temperature, surface tension and vapor density estimations of methanol using the scaled model

open access: yesHeliyon, 2019
In the present work, we applied scaled model to calculate surface tension, vapor densities and the critical temperatures of four different models of methanol: namely, H1, J1, J2 and L1 models.
Abdalla Obeidat, Mohammad Badarneh
doaj   +1 more source

Theoretical investigation using DFT of quinoxaline derivatives for electronic and photovoltaic effects

open access: yesHeliyon, 2020
Photovoltaic properties of solar cells based on fifteen organic dyes have been studied in this work. B3LYP/6-311G (d,p) methods are realized to obtain geometries and optimize the electronic properties, optical and photovoltaic parameters for some ...
A. El Assyry   +5 more
doaj   +1 more source

Phase changes in 38 atom Lennard-Jones clusters. II: A parallel tempering study of equilibrium and dynamic properties in the molecular dynamics and microcanonical [PDF]

open access: yes, 2000
We study the 38-atom Lennard-Jones cluster with parallel tempering Monte Carlo methods in the microcanonical and molecular dynamics ensembles. A new Monte Carlo algorithm is presented that samples rigorously the molecular dynamics ensemble for a system ...
Calvo, F.   +3 more
core   +3 more sources

Molecular Dynamics Simulations: Advances and Applications

open access: yesMolecules, 2022
Molecular dynamics (MD) simulations have led to great advances in many scientific disciplines, such as chemical physics, materials science, and biophysics [...].
Hugo A. L. Filipe, Luís M. S. Loura
semanticscholar   +1 more source

Photoionization from the Ground and Excited Vibrational States of and Its Deuterated Isotopologues

open access: yesThe Astrophysical Journal Supplement Series, 2023
Photoionization cross sections and rate coefficients have been calculated for all bound vibrational levels of the 1s σ _g state of ${{\rm{H}}}_{2}^{+}$ , HD ^+ , and ${{\rm{D}}}_{2}^{+}$ . The Born–Oppenheimer approximation is employed in our calculation
Adam Singor   +4 more
doaj   +1 more source

Vibrational Frequencies of Phosphorus Trichloride with the Vibrational Hamiltonian

open access: yesEast European Journal of Physics
This study presents an approach for precisely determining the stretching vibrational frequencies of the P-Cl bond in phosphorus trichloride (PCl3) using a vibrational Hamiltonian framework that maintains the C3v symmetry point group.
J. Vijayasekhar   +2 more
doaj   +1 more source

Photon and Particle Impact Spectroscopy and Dynamics of Atoms, Molecules and Clusters

open access: yesAtoms, 2023
Atomic, molecular, and optical (AMO) physics is a vastly important sub-discipline [...]
Himadri S. Chakraborty, Hari R. Varma
doaj   +1 more source

Editorial on the Special Issue on Recent Advances of Molecular Machines and Molecular Robots

open access: yesMicromachines, 2020
Molecular machines and molecular robots are a highly interdisciplinary research field including material science, chemistry, biotechnology, biophysics, soft matter physics, micro-electromechanical systems (MEMS), and computer science [...]
Masahiro Takinoue, Ryuji Kawano
doaj   +1 more source

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