MOPAC

MOPAC is a popular computer program used in computational chemistry. It is designed to implement semi-empirical quantum chemistry algorithms, and it… (More)
Wikipedia

Topic mentions per year

Topic mentions per year

1980-2017
024619802017

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2013
2013
MOTIVATION Molecular representation for small molecules has been routinely used in QSAR/SAR, virtual screening, database search… (More)
  • table 1
Is this relevant?
2008
2008
Significantly growing demand for higher quality computational chemistry results for big molecular systems can be recently… (More)
  • table 2
  • figure 4
  • figure 1
  • figure 1
Is this relevant?
2008
2008
Three novel α-carbon derivatives of houttuyfonate—HOU-C8C1, HOU-C8C2, and HOU-C8C4—were designed and synthesized, and tested for… (More)
  • figure 1
  • figure 2
  • figure 3
  • table 1
Is this relevant?
Highly Cited
2005
Highly Cited
2005
This article describes the software suite GROMACS (Groningen MAchine for Chemical Simulation) that was developed at the… (More)
  • figure 1
  • figure 2
  • figure 3
  • figure 4
  • figure 5
Is this relevant?
2004
2004
Three-dimensional QSAR models with different charge calculation methods (MOPAC-AM1-ESP, MOPAC-AM1-Coulson and Gasteiger-Hückel… (More)
Is this relevant?
2003
2003
We propose a novel strategy for discovering motifs from gene expression data. The gene expression data in our experiments comes… (More)
  • table 1
  • figure 1
  • figure 2
  • table 2
  • table 3
Is this relevant?
2001
2001
Conformational preferences for methyl-, ethyl-, propyl-, and isopropyl-substituted pyrazines and pyridines are determined by mass… (More)
  • figure 1
  • figure 3
  • figure 2
  • figure 4
  • figure 5
Is this relevant?
Highly Cited
2000
Highly Cited
2000
Molden is a software package for pre- and postprocessing of computational chemistry program data. Interfacing to the ab initio… (More)
Is this relevant?
Review
1990
Review
1990
Before we start, we need a working definition for MOPAC. The following description has been used many times to describe MOPAC… (More)
Is this relevant?
1980
1980
Proper recruiting for the computer programmer and systems analyst is mandatory or the continued success and even the existence of… (More)
Is this relevant?