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dc: "Desktop Calculator" arbitrary-precision RPN calculator that comes standard on most Unix-like systems. KCalc, Linux based scientific calculator; Maxima: a computer algebra system which bignum integers are directly inherited from its implementation language Common Lisp. In addition, it supports arbitrary-precision floating-point numbers ...
Gaussian / ˈ ɡ aʊ s. i. ə n / is a general purpose computational chemistry software package initially released in 1970 by John Pople [1] [2] and his research group at Carnegie Mellon University as Gaussian 70. [3] It has been continuously updated since then. [4]
Spartan applies computational chemistry methods (theoretical models) to many standard tasks that provide calculated data applicable to the determination of molecular shape conformation, structure (equilibrium and transition state geometry), NMR, IR, Raman, and UV-visible spectra, molecular (and atomic) properties, reactivity, and selectivity.
dc (desk calculator) is a cross-platform reverse-Polish calculator which supports arbitrary-precision arithmetic. [1] It was written by Lorinda Cherry and Robert Morris at Bell Labs. [2] It is one of the oldest Unix utilities, preceding even the invention of the C programming language. Like other utilities of that vintage, it has a powerful set ...
A calibration curve plot showing limit of detection (LOD), limit of quantification (LOQ), dynamic range, and limit of linearity (LOL).. In analytical chemistry, a calibration curve, also known as a standard curve, is a general method for determining the concentration of a substance in an unknown sample by comparing the unknown to a set of standard samples of known concentration. [1]
In metrology, measurement uncertainty is the expression of the statistical dispersion of the values attributed to a quantity measured on an interval or ratio scale.. All measurements are subject to uncertainty and a measurement result is complete only when it is accompanied by a statement of the associated uncertainty, such as the standard deviation.
Precision Scientific mode RPN mode Hex/oct/bin mode DeskCalc: MIT: Haiku: Arbitrary decimal Yes No No Mac OS calculator: Proprietary: macOS: Double (64 bit) Yes Yes Yes GNOME Calculator: GPL-3.0-or-later: Linux, BSDs, macOS: Arbitrary decimal Yes Yes Yes KCalc: GPL-2.0-or-later: Linux, BSDs, macOS: Arbitrary decimal Yes Yes Yes Windows ...
Psi is an ab initio computational chemistry package originally written by the research group of Henry F. Schaefer, III (University of Georgia).Utilizing Psi, one can perform a calculation on a molecular system with various kinds of methods such as Hartree-Fock, Post-Hartree–Fock electron correlation methods, and density functional theory.