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When successive powers of a matrix T become small (that is, when all of the entries of T approach zero, upon raising T to successive powers), the matrix T converges to the zero matrix. A regular splitting of a non-singular matrix A results in a convergent matrix T. A semi-convergent splitting of a matrix A results in a semi-convergent matrix T.
A matrix effect value of less than 100 indicates suppression, while a value larger than 100 is a sign of matrix enhancement. An alternative definition of matrix effect utilizes the formula: M E = 100 ( A ( e x t r a c t ) A ( s t a n d a r d ) ) − 100 {\displaystyle ME=100\left({\frac {A(extract)}{A(standard)}}\right)-100}
Molecular structures are graphs with chemical constraints such as valences, bond multiplicity and fragments. These generators are the core of CASE systems. In a generator, the molecular formula is the basic input. If fragments are obtained from the experimental data, they can also be used as inputs to accelerate structure generation.
Synonym for binary matrix or logical matrix. Alternant matrix: A matrix in which successive columns have a particular function applied to their entries. Alternating sign matrix: A square matrix with entries 0, 1 and −1 such that the sum of each row and column is 1 and the nonzero entries in each row and column alternate in sign. Anti-diagonal ...
Matrix congruence is an equivalence relation. Matrix congruence arises when considering the effect of change of basis on the Gram matrix attached to a bilinear form or quadratic form on a finite-dimensional vector space: two matrices are congruent if and only if they represent the same bilinear form with respect to different bases.
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]
Computer-assisted organic synthesis software is a type of application software used in organic chemistry in tandem with computational chemistry to help facilitate the tasks of designing, predicting, and producing chemical reactions. CAOS aims to identify a series of chemical reactions which, from a starting compound, can produce a desired molecule.
Molecule builder-editor for Windows, Linux, Unix, and macOS. All source code is licensed under the GNU General Public License (GPL) version 2. Supported languages include: Chinese, English, French, German, Italian, Russian, Spanish, and Polish. Supports multi-threaded rendering and computation.