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Chemical engineers once used the kilogram-mole (notation kg-mol), which is defined as the number of entities in 12 kg of 12 C, and often referred to the mole as the gram-mole (notation g-mol), then defined as the number of entities in 12 g of 12 C, when dealing with laboratory data. [6]
In the International System of Units (SI), the coherent unit of molar mass is kg/mol. However, for historical reasons, molar masses are almost always expressed in g/mol. The mole was defined in such a way that the molar mass of a compound, in g/mol, is numerically equal to the average mass of one molecule or formula unit, in daltons.
The standard unit is the meter cubed per kilogram (m 3 /kg or m 3 ·kg −1). Sometimes specific volume is expressed in terms of the number of cubic centimeters occupied by one gram of a substance. In this case, the unit is the centimeter cubed per gram (cm 3 /g or cm 3 ·g −1). To convert m 3 /kg to cm 3 /g, multiply by 1000; conversely ...
High performance GPU-accelerated ab initio molecular dynamics and TD/DFT software package for very large molecular or even nanoscale systems. Runs on NVIDIA GPUs and 64-bit Linux, has heavily optimized CUDA code. Proprietary, trial licenses available PetaChem LLC: TINKER: I Yes Yes Yes Yes I I Yes Yes Software tools for molecular design-Tinker ...
kg mass "The kilogram, symbol kg, is the SI unit of mass. It is defined by taking the fixed numerical value of the Planck constant h to be 6.626 070 15 × 10 −34 when expressed in the unit J s, which is equal to kg m 2 s −1, where the metre and the second are defined in terms of c and ∆ν Cs." [1]
List of software for Monte Carlo molecular modeling; Comparison of software for molecular mechanics modeling; Molecular design software; Molecule editor; Molecular modeling on GPUs; List of software for nanostructures modeling; Semi-empirical quantum chemistry method; Computational chemical methods in solid-state physics, with periodic boundary ...
The term molality is formed in analogy to molarity which is the molar concentration of a solution. The earliest known use of the intensive property molality and of its adjectival unit, the now-deprecated molal, appears to have been published by G. N. Lewis and M. Randall in the 1923 publication of Thermodynamics and the Free Energies of Chemical Substances. [3]
Historically, the mole was defined as the amount of substance in 12 grams of the carbon-12 isotope.As a consequence, the mass of one mole of a chemical compound, in grams, is numerically equal (for all practical purposes) to the mass of one molecule or formula unit of the compound, in daltons, and the molar mass of an isotope in grams per mole is approximately equal to the mass number ...