Skip to search formSkip to main contentSkip to account menu

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… 
Wikipedia (opens in a new tab)

Related topics

Related topics

4 relations

Broader (1)

Computational chemistry
MoldenMolecular modellingPerl

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2012
2012
Positive and completely positive cones and Z-transformations
A well-known result of Lyapunov on continuous linear systems asserts that a real square matrix A is positive stable if and only… 
Highly Cited
2010
Highly Cited
2010
First-principles prediction and partial characterization of the vibrational states of water up to dissociation
2006
2006
A Practical Approach for the Linearization of the Constrained Multibody Dynamics Equations
The paper presents an approach to linearize the set of index 3 nonlinear Differential Algebraic Equations (DAE) that govern the… 
Highly Cited
2004
Highly Cited
2004
Power System Load Flow Analysis
CHAPTER 1. SYSTEM REPRESENTATION CHAPTER 2. THE LOAD FLOW PROBLEM CHAPTER 3. REFERENCE SYSTEM CHAPTER 4. JACOBI METHOD CHAPTER 5… 
2002
2002
Hyperspherical harmonics for polyatomic systems: Basis set for kinematic rotations
In a symmetrical hyperspherical framework, the internal coordinates for the treatment of N-body systems are conveniently broken… 
2001
2001
A redundant internal coordinate algorithm for optimization of periodic systems
The algorithm for optimizing molecular geometries in redundant internal coordinates is extended to periodic systems. The lattice… 
Highly Cited
1999
Highly Cited
1999
Methods for optimizing large molecules. II. Quadratic search
Geometry optimization has become an essential part of quantum-chemical computations, largely because of the availability of… 
1999
1999
Different Conformers and Protonation States of Dipeptides Probed by Polarized Raman, UV−Resonance Raman, and FTIR Spectroscopy
We have measured the polarized nonresonance and resonance Raman as well as FTIR spectra of the model peptides glycylglycine and N… 
Highly Cited
1998
Highly Cited
1998
Methods for geometry optimization of large molecules. I. An O(N2) algorithm for solving systems of linear equations for the transformation of coordinates and forces
The most recent methods in quantum chemical geometry optimization use the computed energy and its first derivatives with an… 
Highly Cited
1990
Highly Cited
1990
All the vibrational bound states of H+3
By clicking accept or continuing to use the site, you agree to the terms outlined in our Privacy Policy (opens in a new tab), Terms of Service (opens in a new tab), and Dataset License (opens in a new tab)