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MNDO, the Glossary

MNDO, or Modified Neglect of Diatomic Overlap is a semi-empirical method for the quantum calculation of molecular electronic structure in computational chemistry.^[1]

17 relations: AMPAC, Austin Model 1, Computational chemistry, CP2K, Firefly (computer program), GAMESS (UK), GAMESS (US), Gaussian (software), Michael J. S. Dewar, MINDO, MOPAC, NDDO, ORCA (quantum chemistry program), Organometallic chemistry, Perturbation theory, PM3 (chemistry), Quantum mechanics.
Semiempirical quantum chemistry methods

AMPAC

AMPAC is a general-purpose semiempirical quantum chemistry program.

See MNDO and AMPAC

Austin Model 1, or AM1, is a semi-empirical method for the quantum calculation of molecular electronic structure in computational chemistry. MNDO and Austin Model 1 are semiempirical quantum chemistry methods.

See MNDO and Austin Model 1

Computational chemistry

Computational chemistry is a branch of chemistry that uses computer simulations to assist in solving chemical problems.

See MNDO and Computational chemistry

CP2K

CP2K is a freely available (GPL) quantum chemistry and solid state physics program package, written in Fortran 2008, to perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems.

See MNDO and CP2K

Firefly (computer program)

Firefly, formerly named PC GAMESS, is an ab initio computational chemistry program for Intel-compatible x86, x86-64 processors based on GAMESS (US) sources.

See MNDO and Firefly (computer program)

GAMESS (UK)

General Atomic and Molecular Electronic Structure System (GAMESS-UK) is a computer software program for computational chemistry.

See MNDO and GAMESS (UK)

GAMESS (US)

General Atomic and Molecular Electronic Structure System (GAMESS (US)) is computer software for computational chemistry.

See MNDO and GAMESS (US)

Gaussian (software)

Gaussian is a general purpose computational chemistry software package initially released in 1970 by John Pople and his research group at Carnegie Mellon University as Gaussian 70.

See MNDO and Gaussian (software)

Michael J. S. Dewar

Michael James Steuart Dewar (24 September 1918 – 10 October 1997) was an American theoretical chemist.

See MNDO and Michael J. S. Dewar

MINDO

MINDO, or Modified Intermediate Neglect of Differential Overlap is a semi-empirical method for the quantum calculation of molecular electronic structure in computational chemistry. MNDO and MINDO are semiempirical quantum chemistry methods.

See MNDO and MINDO

MOPAC

MOPAC is a computational chemistry software package that implements a variety of semi-empirical quantum chemistry methods based on the neglect of diatomic differential overlap (NDDO) approximation and fit primarily for gas-phase thermochemistry.

See MNDO and MOPAC

NDDO

In computational chemistry, NDDO (neglect of diatomic differential overlap) is a formalism that was first introduced by John Pople; it is the basis for most semiempirical methods. MNDO and NDDO are semiempirical quantum chemistry methods.

See MNDO and NDDO

ORCA (quantum chemistry program)

ORCA is a general-purpose quantum chemistry package featuring a variety of methods including semi-empirical, density functional theory, many-body perturbation, coupled cluster, and multireference methods.

See MNDO and ORCA (quantum chemistry program)

Organometallic chemistry is the study of organometallic compounds, chemical compounds containing at least one chemical bond between a carbon atom of an organic molecule and a metal, including alkali, alkaline earth, and transition metals, and sometimes broadened to include metalloids like boron, silicon, and selenium, as well.

See MNDO and Organometallic chemistry

References

[1] https://en.wikipedia.org/wiki/MNDO

MNDO, the Glossary

Table of Contents

AMPAC

Austin Model 1