<--- Back to Details
First PageDocument Content
MOPAC / Semi-empirical quantum chemistry method / MNDO / Chemical element / Ab initio quantum chemistry methods / SAM1 / AM1* / Chemistry / PM3 / Austin Model 1
Date: 2008-11-02 19:39:36
MOPAC
Semi-empirical quantum chemistry method
MNDO
Chemical element
Ab initio quantum chemistry methods
SAM1
AM1*
Chemistry
PM3
Austin Model 1

Microsoft Word - MOPAC2009 brochure draft1.doc

Add to Reading List

Source URL: openmopac.net

Download Document from Source Website

File Size: 269,33 KB

Share Document on Facebook

Similar Documents

Chemistry / Cluster chemistry / Infrared spectroscopy / Ab initio quantum chemistry methods / Structural isomer / Infrared

Gas phase vibrational spectroscopy of cold (TiO2)n− (n = 3–8) clusters

DocID: 1rpoZ - View Document

Chemistry / Theoretical chemistry / Computational chemistry / Post-HartreeFock methods / Molecular modelling / Ab initio quantum chemistry methods / Max Planck Institute for Coal Research / Semi-empirical quantum chemistry method / Coupled cluster / Molecular dynamics / Quantum chemistry / Density functional theory

Theory 2.5 Director: Walter Thiel (born 1949)

DocID: 1qnI0 - View Document

Chemistry / Quantum chemistry / Computational chemistry / Theoretical chemistry / Computational physics / Quantum Monte Carlo / Variational Monte Carlo / Ab initio quantum chemistry methods / David Ceperley / Monte Carlo method / Jellium / GAMESS

User’s Guide and Developer’s Manual Preview July 27, 2016 Online: https://svn.qmcpack.org/svn/trunk/manual/qmcpack_manual.pdf Contents 1 Introduction

DocID: 1q6Lq - View Document

Chemistry / Post-HartreeFock methods / Computational chemistry / Theoretical chemistry / Coupled cluster / Quadratic configuration interaction / Ab initio quantum chemistry methods / Davidson correction / Configuration interaction / Molecular vibration

CH+5: The neverending story or the final word? Peter R. Schreiner, SeungJoon Kim, Henry F. Schaefer, and Paul von Ragué Schleyer Citation: J. Chem. Phys. 99, ); doi: View online: http://dx.doi

DocID: 1pP0C - View Document

Chemistry / Theoretical chemistry / Computational chemistry / Ab initio quantum chemistry methods / Molecular dynamics / Path integral molecular dynamics / Spartan / PQS

Subscriber access provided by UNIV MIKOLAJA KOPERNIKA Article Quantum Effects on Vibrational and Electronic Spectra of Hydrazine Studied by “On-the-Fly” ab Initio Ring Polymer Molecular Dynamics

DocID: 1pMw2 - View Document