Success! Domain turbomole.com was analyzed on Friday 25. November 2016!

DomainsData.org: TURBOMOLE: Program Package for ab initio Electronic Structure Calculations

  • Title:
    TURBOMOLE: Program Package for ab initio Electronic Structure Calculations
  • Age:
    15 years old
  • Alexa Rank:
    4,687,469
  • Total Sites Linking In (Alexa):
    66
  • Domain's IP Country:
  • Status Code:
    OK
  • IP Address:
    81.169.145.90
  • Description:
    TURBOMOLE is a powerful Quantum Chemistry (QC) program package and one of the fastest and most stable codes available for standard quantum chemical applications (HF, DFT, MP2). Unlike many other programs, the main focus in the development of TURBOMOLE has not been to implement all new methods and functionals, but to provide a fast and stable code which is able to treat molecules of industrial relevance at reasonable time and memory requirements.
  • Keywords:
    turbomole, quantum chemistry, ab initio, dft, density functional theory, hartree fock, theoretical chemistry, molecules, calculations, spectra, properties, nmr, vibraions, ir, theory, quantum, theoretical, simulations, molecular dynamics, molecular properties
turbomole.com Whois Information:
  • 1.
    Domain Name:
    turbomole.com
  • 2.
    Domain Age:
    15 years old
  • 3.
    Name Server 1:
    ns1.webmailer.de
  • 4.
    Name Server 2:
    ns2.webmailer.de
  • 5.
    Created:
    Tuesday 13. February 2001
  • 6.
    Expires:
    Monday 13. February 2017
  • 7.
    Domain Registrar:
    Cronon AG
Website Important Html Tags:
  • TAG
    TEXT
  • div
    (Reinhart Ahlrichs)
  • strong
    It has to be stressed that virtually all revenues of the company are spent exclusively on the further program development.
  • strong
    Prof. Dr. Reinhart Ahlrichs, who initiated with his group the TURBOMOLE program package, passed away on October 12, 2016 at the age of 76.
  • strong
    New features:
  • strong
    module riper
  • strong
    Efficiency:
  • strong
    open access article
  • h3
    TURBOMOLE GmbH
  • h3
    TURBOMOLE Program
  • li
    DFT calculations for periodic systems (
  • li
    analytic gradients now allow geometry optimization
  • li
    ECPs are available for energy and gradient calculations
  • li
    fractional occupation and smearing for metals
  • li
    band structure plots and visualization of the density
  • li
    DFT-D3 dispersion correction for energies and gradients
  • li
    RI-RPA gradients for unrestricted calculations (rirpa) [2]
  • li
    genetic algorithm for global structure optimization (see DoDo section in the manual) [3]
  • li
    COSMO isorad analytic gradients (rdgrad/grad)
  • li
    faster Davidson algorithm for TDDFT [4]
  • li
    OpenMP/MPI parallel version of 2nd analytic derivatives (aoforce)
  • h2
    TURBOMOLE Version 7.1
  • h2
    Turbomole overview - WIREs Computational Molecular Science
  • h1
    TURBOMOLE: Program Package for ab initio Electronic Structure Calculations
turbomole.com IP Information:
  • 1.
    Ip Address:
    81.169.145.90
  • 2.
    Country:
    Germany
  • 3.
    Status Code:
    OK
  • 4.
    Region Name:
    Land Berlin
  • 5.
    City Name:
    Berlin
  • 6.
    Zip Code:
    10317
  • 7.
    Speed test:
    not available
turbomole.com Alexa Information:
  • 5 Websites linking to turbomole.com:
  • stackexchange.com
  • sourceforge.net
  • github.io
  • springer.com
  • unam.mx
  • Websites related to turbomole.com:
  • wavefun.com
  • Top Keywords from Search Engines:
  • turbomole, forab, turbomol, turbomole/6.6 program package, turbomole last structure
Site Screenshots:
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Google Ranking Screenshots:
  • Screenshot created on Friday 25. November 2016

    This is a Google Top 10 results' screenshot for keyword TURBOMOLE: Program Package created on Friday 25. November 2016.
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