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Z-matrix (chemistry)

In chemistry, the Z-matrix is a way to represent a system built of atoms. A Z-matrix is also known as an internal coordinate representation. It provides a description of each atom in a molecule in terms of its atomic number, bond length, bond angle, and dihedral angle, the so-called internal coordinates, although it is not always the case that a Z-matrix…

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Z-matrix (chemistry)

Nodes18
Edges17
Triples3
Avg. degree1.89
Density0.111111
Components1

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z-matrix cartesian coordinates atoms internal space chemistry conversion representation terms information since matrix angles bonds bond atom molecule symmetry way

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SubjectPredicateObjectConfidenceSrc
geometry optimization may be performed fasterinstance ofquantum chemical calculations0.80text
because an educated guess is available for an initial Hessian matrixinstance ofquantum chemical calculations0.80text
and more natural internal coordinates are used rather than Cartesian coordinatesinstance ofquantum chemical calculations0.80text

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