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Materias / palabras clave: Science: Physics: Heat: Thermodynamics; Science: Chemistry: Organic chemistry: Biochemistry

Context. Astronomical environments are governed by a complex interplay of physical processes, including gravitational dynamics, radiative transfer, stellar evolution, chemistry, and hydrodynamics. These processes span a ...

1 The Atmosphere. 2 Atmospheric Trace Constituents. 3 Chemical Kinetics. 4 Atmospheric Radiation and Photochemistry. 5 Chemistry of the Stratosphere. 6 Chemistry of the Troposphere. 7 Chemistry of the Atmospheric Aqueous...

Abstract CHARMM ( C hemistry at HAR vard M acromolecular M echanics) is a highly flexible computer program which uses empirical energy functions to model macromolecular systems. The program can read or model build struct...

Adequate initial configurations for molecular dynamics simulations consist of arrangements of molecules distributed in space in such a way to approximately represent the system's overall structure. In order that the simu...

Abstract This book provides a practical guide to molecular dynamics and Monte Carlo simulation techniques used in the modelling of simple and complex liquids. Computer simulation is an essential tool in studying the chem...

CHARMM (Chemistry at HARvard Molecular Mechanics) is a highly versatile and widely used molecular simulation program. It has been developed over the last three decades with a primary focus on molecules of biological inte...

Molecular simulation is an extremely useful, but computationally very expensive tool for studies of chemical and biomolecular systems. Here, we present a new implementation of our molecular simulation toolkit GROMACS whi...

Since the classical molecular dynamics simulator LAMMPS was released as an open source code in 2004, it has become a widely-used tool for particle-based modeling of materials at length scales ranging from atomic to mesos...

BACKGROUND: The Avogadro project has developed an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related are...

Materias / palabras clave: aerodynamics, analytical dynamics, biological physics and networks, brownian dynamics, chemical reactions dynamics, celestial mechanics; Science: Physics: Heat: Thermodynamics; Science: Chemistry: Organic chemistry: Bioc...

Materias / palabras clave: gases, aerosols, clouds and precipitation, isotopes, radiation, dynamics; Science: Physics; Science: Chemistry

Materias / palabras clave: weather and climate prediction, climate change, ocean dynamics, weather extremes, air pollution, atmospheric chemistry; Geography. Anthropology. Recreation: Environmental sciences; Science: Physics: Meteorology. Climatol...