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Z-matrix (chemistry)

Known as: Internal coordinate, Internal coordinates, Z-matrix 
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… 
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Papers overview

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Highly Cited
2014
Highly Cited
2014
We report a model describing the molecular orientation disorder in CH3NH3PbI3, solving a classical Hamiltonian parametrised with… 
Highly Cited
2004
Highly Cited
1998
Highly Cited
1998
A procedure that automatically identifies internal rotation modes and rotating groups during the normal mode vibrational analysis… 
Highly Cited
1997
Highly Cited
1997
A quasi-Newton method is used to simultaneously relax the internal coordinates and lattice parameters of crystals under pressure… 
Highly Cited
1996
Highly Cited
1996
In a recent paper, Gregurick, Alexander, and Hartke [S. K. Gregurick, M. H. Alexander, and B. Hartke, J. Chem. Phys. 104, 2684… 
Highly Cited
1990
Highly Cited
1990
Our previous algorithm for following reaction paths downhill (J. Chem. Phys. 1989, 90, 2154), has been extended to use mass… 
Highly Cited
1990
Highly Cited
1979
Highly Cited
1979
Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives is described. A…