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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 ...
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 ...
Turbomole was developed in 1987 and turned into a mature program system under the control of Reinhart Ahlrichs and his collaborators. Turbomole can perform a large-scale quantum chemical simulations of molecules, clusters, and later periodic solids.
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.
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.
Mass to moles: Convert grams of Cu to moles of Cu; Mole ratio: Convert moles of Cu to moles of Ag produced; Mole to mass: Convert moles of Ag to grams of Ag produced; The complete balanced equation would be: Cu + 2 AgNO 3 → Cu(NO 3) 2 + 2 Ag. For the mass to mole step, the mass of copper (16.00 g) would be converted to moles of copper by ...
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 compounds) and formula weight (F.W.) (for non-molecular compounds), are older terms for what is now more correctly called the relative molar mass ( M r ). [ 8 ]
Download QR code; Print/export Download as PDF; ... move to sidebar hide. Gram-mole (more correctly Gram-molecule) is a synonym for Mole. See: Mole (unit) Molar mass ...