Molecular theory of gases and liquids
01 Jan 1954-
About: The article was published on 1954-01-01 and is currently open access. It has received 11894 citations till now. The article focuses on the topics: Molecular orbital theory.
Citations
More filters
15,091 citations
TL;DR: GOLD (Genetic Optimisation for Ligand Docking) is an automated ligand docking program that uses a genetic algorithm to explore the full range of ligand conformational flexibility with partial flexibility of the protein, and satisfies the fundamental requirement that the ligand must displace loosely bound water on binding.
5,882 citations
Book•
25 May 1984TL;DR: An overview of diffusion and separation processes brings unsurpassed, engaging clarity to this complex topic as mentioned in this paper, which is a key part of the undergraduate chemical engineering curriculum and at the core of understanding chemical purification and reaction engineering.
Abstract: This overview of diffusion and separation processes brings unsurpassed, engaging clarity to this complex topic. Diffusion is a key part of the undergraduate chemical engineering curriculum and at the core of understanding chemical purification and reaction engineering. This spontaneous mixing process is also central to our daily lives, with importance in phenomena as diverse as the dispersal of pollutants to digestion in the small intestine. For students, Diffusion goes from the basics of mass transfer and diffusion itself, with strong support through worked examples and a range of student questions. It also takes the reader right through to the cutting edge of our understanding, and the new examples in this third edition will appeal to professional scientists and engineers. Retaining the trademark enthusiastic style, the broad coverage now extends to biology and medicine.
5,195 citations
TL;DR: In this article, the basic relationships are discussed in the context of vertical transfer in the lower atmosphere, and the required corrections to the measured flux are derived, where the correction to measurements of water vapour flux will often be only a few per cent but will sometimes exceed 10 percent.
Abstract: When the atmospheric turbulent flux of a minor constituent such as CO2 (or of water vapour as a special case) is measured by either the eddy covariance or the mean gradient technique, account may need to be taken of variations of the constituent's density due to the presence of a flux of heat and/or water vapour. In this paper the basic relationships are discussed in the context of vertical transfer in the lower atmosphere, and the required corrections to the measured flux are derived.
If the measurement involves sensing of the fluctuations or mean gradient of the constituent's mixing ratio relative to the dry air component, then no correction is required; while with sensing of the constituent's specific mass content relative to the total moist air, a correction arising from the water vapour flux only is required. Correspondingly, if in mean gradient measurements the constituent's density is measured in air from different heights which has been pre-dried and brought to a common temperature, then again no correction is required; while if the original (moist) air itself is brought to a common temperature, then only a correction arising from the water vapour flux is required.
If the constituent's density fluctuations or mean gradients are measured directly in the air in situ, then corrections arising from both heat and water vapour fluxes are required.
These corrections will often be very important. That due to the heat flux is about five times as great as that due to an equal latent heat (water vapour) flux. In CO2 flux measurements the magnitude of the correction will commonly exceed that of the flux itself. The correction to measurements of water vapour flux will often be only a few per cent but will sometimes exceed 10 per cent.
4,174 citations
3,522 citations