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The molar ratio allows for conversion between moles of one substance and moles of another. For example, in the reaction 2 CH 3 OH + 3 O 2 → 2 CO 2 + 4 H 2 O. the amount of water that will be produced by the combustion of 0.27 moles of CH 3 OH is obtained using the molar ratio between CH 3 OH and H 2 O of 2 to 4.
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 ...
Engineering Equation Solver (EES) is a commercial software package used for solution of systems of simultaneous non-linear equations.It provides many useful specialized functions and equations for the solution of thermodynamics and heat transfer problems, making it a useful and widely used program for mechanical engineers working in these fields.
The SI value of the mole was chosen on the basis of the historical definition of the mole as the amount of substance that corresponds to the number of atoms in 12 grams of 12 C, [1] which made the mass of a mole of a compound expressed in grams, numerically equal to the average molecular mass or formula mass of the compound expressed in daltons.
Normality is defined as the number of gram or mole equivalents of solute present in one liter of solution.The SI unit of normality is equivalents per liter (Eq/L). = where N is normality, m sol is the mass of solute in grams, EW sol is the equivalent weight of solute, and V soln is the volume of the entire solution in liters.
Obsolete terms for molar mass include gram atomic mass for the mass, in grams, of one mole of atoms of an element, and gram molecular mass for the mass, in grams, of one mole of molecules of a compound. The gram-atom is a former term for a mole of atoms, and gram-molecule for a mole of molecules. [7] Molecular weight (M.W.) (for molecular ...
Old-fashioned interface; very good software for the experienced bioinformatician; nearly 2000 protein-structure related options; comes with 500 page writeup. YASARA: HM NMR XRC: Proprietary, limited free version C-assembly, Windows, Linux, Mac [34] [self-published source?]
The software C++ library for LC-MS/MS data management and analysis offers an infrastructure for the development of mass spectrometry-related software. It allows peptide and metabolite quantification and supports label-free and isotopic-label-based quantification (such as iTRAQ and TMT and SILAC ) as well as targeted SWATH-MS quantification.