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QM properties

Quantum Mechanical properties

Calculate molecular orbitals and vibrational frequencies.

[Requires: Ligprep, Jaguar] [Keywords: quantum mechanics, semi-empirical, parameter flow variables, quick form nodes]

Quantum Mechanical properties:Calculate molecular orbitals and vibrational frequencies.[Requires: Ligprep, Jaguar] [Keywords: quantum mechanics, semi-empirical, parameter flow variables, quick formnodes]Disabled3 molecules1 form [configurable] Vibrational frequency energies Molecular Orbital inspection[configurable]Molecular orbitals Molecular Orbital energies Vibrational frequency properties Testing -structures Table Creator LigPrep Semiempirical NDDO Jaguar SinglePoint Energy Vibrationalfrequency Extract Properties Table Viewer Jaguar SinglePoint Energy Extract Properties Run Maestro Properties Table Viewer Table Viewer Vibrationalfequency properties Quantum Mechanical properties:Calculate molecular orbitals and vibrational frequencies.[Requires: Ligprep, Jaguar] [Keywords: quantum mechanics, semi-empirical, parameter flow variables, quick formnodes]Disabled3 molecules1 form [configurable] Vibrational frequency energies Molecular Orbital inspection[configurable]Molecular orbitals Molecular Orbital energies Vibrational frequency properties Testing -structures Table Creator LigPrep Semiempirical NDDO Jaguar SinglePoint Energy Vibrationalfrequency Extract Properties Table Viewer Jaguar SinglePoint Energy Extract Properties Run Maestro Properties Table Viewer Table Viewer Vibrationalfequency properties

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On NodePit since: 2020-08-12
Last update: 2024-05-02
Created with KNIME version: v4.3.2
Tags: Quantum MechanicsLigPrepJaguarSemi-empiricalParameter Flow VariablesQuick Form Nodes

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