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Density functional computations of proton affinity and gas‐phase basicity of proline

Journal of Mass Spectrometry, 2001
AbstractAn Erratum has been published for this article in Journal of Mass Spectrometry 37(2) 2002, 232.The proton affinity and gas‐phase basicity of proline were evaluated by using density functional theory coupling the B3‐LYP hybrid functional with the extended 6–311++G** basis set.
MARINO, Tiziana   +3 more
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Level densities for basic and applied nuclear physics

Radiation Effects, 1986
Abstract Nuclear level densities are a key ingredient in compound nuclear reaction calculations. They are, therefore, of importance to fields as diverse as fission and fusion reactor design and astrophysics. A review of present methods for calculating level densities is presented, which includes global approximation methods and rotational enhancement ...
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Analysis of basic factors governing compacted powder density

Russian Journal of Non-Ferrous Metals, 2011
Based on a theoretical analysis of the behavior of metal powders during compaction, basic factors governing the compacted powder density, i.e., the compaction pressure and the sizes of a powder particle and its grain, are determined. Mechanisms of the effect of these factors are considered, and a mathematical dependence for forecasting the compacted ...
I. E. Ignat’ev   +3 more
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Calculation for density of molten slags using optical basicity

Ironmaking & Steelmaking, 2013
AbstractA model for density calculation of multicomponent slags was developed in the present work. This model is an extension of a previous model proposed by the present author. Density values of molten slags were calculated from molar volume values, which were calculated from molar volume of pure component and mixing molar volume.
Q. F. Shu, K.-C. Chou
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Model for evaluating density of molten slag with optical basicity

Journal of Iron and Steel Research International, 2010
Abstract A new model is proposed to estimate the density of molten slag, in which the temperature dependence of density is described by Arrhenius Law with the activation energy expressed as the linear function of optical basicity. Successful applications to the density calculations of CaO-Al 2 O 3 -SiO 2 and Al 2 O 3 -CaO-MgO-SiO 2 slag systems ...
Guo-hua Zhang, Kuo-chih Chou
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The Density Matrix and its Basic Applications in NMR

2020
I hope we now established some qualitative physical concepts and pictures about the fundamentals of NMR after the first three chapters. This chapter will introduce the basics of quantitative analysis of NMR experiments by quantum mechanics. A good background in linear algebra will be very beneficial, even if you have no prior knowledge of quantum ...
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Density of basic rocks at very high pressures

Eos, Transactions American Geophysical Union, 1958
The densities of two gabbros and one dunite bave been measured at several pressures in the range from 150 to 750 kilobars (1 kilobar = 986.9 atmospheres). These pressures were attained in shock fronts generated by high explosives. The densities were computed from the observed shock waves.
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Formation velocity and density; the diagnostic basics for stratigraphic traps

Geophysics, 1974
Abstract A multiplicity of factors influence seismic reflection coefficients and the observed gravity of typical sedimentary rocks. Rock velocity and density depend upon the mineral composition and the granular nature of the rock matrix, cementation, porosity, fluid content, and environmental pressure. Depth of burial and geologic age
G. H. F. Gardner   +2 more
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Some Basic Variable Density Mechanisms in Turbulent Flows

2002
The aim of this chapter is to point out the existence and emphasize the understanding of some of those properties which make variable density turbulent flows different from the incompressible ones.
P. Chassaing   +4 more
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Basic Density And Strength Properties Of Pines In Uganda

2008
Basic density and strength properties and their variations in 25 year - old Pinus caribaea, P. oocarpa and P. kesiya grown in Katugo, Uganda were investigated. Six trees for each species were selected representing three diameter classes. The trees were felled after measuring their diameter at breast height. Three disks were cut from each tree at 1.3 m,
Ishengoma, R C   +3 more
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