Results 11 to 20 of about 5,519,686 (289)
Molecular Gas Phase Conformational Ensembles [PDF]
Journal of Chemical Information and Modeling, 2023 Abstract. Accurately determining the global minima of a molecular structure is important in diverse scientific fields, including drug design, materials science, and chemical synthesis. Conformational search engines serve as valuable tools for exploring the extensive conformational space of molecules and identifying energetically favorable conformations.
Susanta Das, Kenneth M. Merz Jr.
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Modeling of Knudsen layer effects in micro/nanoscale gas flows [PDF]
, 2011 We propose a power-law based effective mean free path (MFP) model so that the Navier-Stokes-Fourier equations can be employed for the transition-regime flows typical of gas micro/nanodevices.
Dongari, Nishanth +2 more
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Molecular dynamics studies of anomalous transport in rarefied gas flows [PDF]
, 2010 We investigate the thermodynamically non-equilibrium gas dynamics by measuring molecular free path distribution functions, inter-molecular collision rates and wall dependent mean free path (MFP) profiles using the molecular dynamics (MD) method.
Dongari, Nishanth +2 more
core +3 more sources
An extension to the Navier-Stokes equations to incorporate gas molecular collisions with boundaries [PDF]
, 2010 We investigate a model for micro-gas-flows consisting of the Navier-Stokes equations extended to include a description of molecular collisions with solid boundaries, together with first and second order velocity slip boundary conditions.
Reese, Jason M. +2 more
core +4 more sources
Sensors, 2020 Conventional mechanical Fourier Transform Spectrometers (FTS) can simultaneously measure absorption and dispersion spectra of gas-phase samples. However, they usually need very long measurement times to achieve time-resolved spectra with a good spectral ...
Muhammad Ali Abbas +5 more
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Molecular recognition in the gas phase [PDF]
Pure and Applied Chemistry, 1993 Abstract
VINCENTI, Marco +3 more
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3D Modeling of the Molecular Gas Kinematics in Optically Selected Jellyfish Galaxies
The Astrophysical Journal, 2023 Cluster galaxies are subject to the ram pressure exerted by the intracluster medium, which can perturb or even strip away their gas while leaving the stars undisturbed.
Cecilia Bacchini +11 more
doaj +1 more source
Investigating the effect of solid boundaries on the gas molecular mean-free-path [PDF]
, 2009 A key parameter for micro-gas-flows, the mean free path, is investigated in this paper. The mean free path is used in various models for predicting micro gas flows, both in the governing equations and their boundary conditions.
Arlemark, E.J., Reese, J.M.
core +3 more sources
Molecular bridge-mediated ultralow-power gas sensing
Microsystems & Nanoengineering, 2021 We report the electrical detection of captured gases through measurement of the quantum tunneling characteristics of gas-mediated molecular junctions formed across nanogaps.
Aishwaryadev Banerjee +8 more
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VERTICO II: How H i-identified Environmental Mechanisms Affect the Molecular Gas in Cluster Galaxies
The Astrophysical Journal, 2022 In this VERTICO early science paper we explore in detail how environmental mechanisms, identified in H i , affect the resolved properties of molecular gas reservoirs in cluster galaxies.
Nikki Zabel +19 more
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