TURBOMOLE

Known as: TURBOMOL 
TURBOMOLE is an ab initio computational chemistry program that implements various quantum chemistry methods. It was initially developed by the group… (More)
Wikipedia

Topic mentions per year

Topic mentions per year

1993-2016
02419932016

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2017
2017
A software update solving the Bethe-Salpeter equation (BSE) is reported for the ESCF module of the TURBOMOLE program for the… (More)
Is this relevant?
2014
2014
The quantum mechanical (QM)/molecular mechanical (MM) interface between Chemistry at HARvard Molecular Mechanics (CHARMM) and… (More)
  • figure 1
  • figure 2
  • figure 3
  • figure 4
  • figure 5
Is this relevant?
2011
2011
A detailed description of the explicitly correlated second-order Møller-Plesset perturbation theory (MP2-F12) method, as… (More)
Is this relevant?
2011
2011
The programs ESCF, EGRAD, and AOFORCE are parts of the TURBOMOLE program package and compute excited-state properties and ground… (More)
Is this relevant?
2010
2010
We herein present the graphical user interface (GUI) TmoleX for the quantum chemical program package TURBOMOLE. TmoleX allows… (More)
Is this relevant?
2010
2010
We herein present the graphical user interface (GUI) TmoleX for the quantum chemical program package TURBOMOLE. TmoleX allows… (More)
  • table 1
  • figure 1
  • figure 2
  • figure 3
  • figure 4
Is this relevant?
2007
2007
An external geometry optimizer (BOptimize) is described that can be used together with a number of existing quantum-chemical… (More)
Is this relevant?
2003
2003
The implementation of a hybrid QM-MM approach combining ab initio and density functional methods of TURBOMOLE with the molecular… (More)
Is this relevant?
2002
2002
A method is developed for the combination of quantum chemical geometry optimizations and crystallographic structure refinement… (More)
Is this relevant?
1993
1993
An improvement of turnaround times for demanding number crunching problems can only be achieved by parallel use of processors. It… (More)
  • figure 1
  • figure 2
  • figure 3
  • figure 4
  • table I
Is this relevant?