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Dirac (software)

  • Molpro

    Molpro

  • Arxiv:1710.00259V1 [Physics.Chem-Ph] 30 Sep 2017 a Relativistically Correct Electron Interaction

    Arxiv:1710.00259V1 [Physics.Chem-Ph] 30 Sep 2017 a Relativistically Correct Electron Interaction

  • Jaguar 5.5 User Manual Copyright © 2003 Schrödinger, L.L.C

    Jaguar 5.5 User Manual Copyright © 2003 Schrödinger, L.L.C

  • CHEM:4480 Introduction to Molecular Modeling

    CHEM:4480 Introduction to Molecular Modeling

  • US DOE SC ASCR FY11 Software Effectiveness SC GG 3.1/2.5.2 Improve Computational Science Capabilities

    US DOE SC ASCR FY11 Software Effectiveness SC GG 3.1/2.5.2 Improve Computational Science Capabilities

  • Efficient Two-Component Relativistic Method to Obtain Electronic

    Efficient Two-Component Relativistic Method to Obtain Electronic

  • The Electron Affinity of the Uranium Atom

    The Electron Affinity of the Uranium Atom

  • Nwchem User Documentation Release 4.0.1

    Nwchem User Documentation Release 4.0.1

  • Scale QM/MM-MD Simulations and Its Application to Biomolecular Systems

    Scale QM/MM-MD Simulations and Its Application to Biomolecular Systems

  • GPW and GAPW

    GPW and GAPW

  • Lecture 2: Standard Software and Visualization Tools

    Lecture 2: Standard Software and Visualization Tools

  • Relativistic Coupled Cluster Theory - in Molecular Properties and in Electronic Structure Avijit Shee

    Relativistic Coupled Cluster Theory - in Molecular Properties and in Electronic Structure Avijit Shee

  • GAMESS-UK USER's GUIDE and REFERENCE MANUAL Version 8.0

    GAMESS-UK USER's GUIDE and REFERENCE MANUAL Version 8.0

  • CHAPTER I - Introduction * * * ************************************

    CHAPTER I - Introduction * * * ************************************

  • Manual.Pdf, with the HTML Version in the Directory Molpro/Doc/Manual/Index.Html

    Manual.Pdf, with the HTML Version in the Directory Molpro/Doc/Manual/Index.Html

  • Turbomole USER's MANUAL

    Turbomole USER's MANUAL

  • Relativistic Quantum Chemistry

    Relativistic Quantum Chemistry

  • Firefly 8.0.0 Manual

    Firefly 8.0.0 Manual

Top View
  • Release65:Nwchem Documentation 1 Release65:Nwchem Documentation
  • Q-Chem 4.0 User's Manual
  • Relativistic Coupled Cluster Theory – in Molecular Properties and in Electronic Structure
  • SPARTAN V.2.6 User's Manual
  • Past, Present, Future
  • Nwchem: Past, Present, and Future
  • Spin-Orbit Coupling from a Two-Component Self-Consistent Approach
  • Quantum Chemistry at Work (1) Introduction, General Discussion, Methods, Benchmarking
  • Reconstructing Rational Functions with Firefly
  • The DIRAC Code for Relativistic Molecular Calculations
  • SPECFEM3D Cartesian User Manual
  • Using JCP Format
  • Charge Distribution and Fermi Level in Bimetallic Nanoparticles
  • Using JCP Format
  • Relativistic Calculations Using Molcas
  • 5.0004844 the DIRAC Code for Relativistic Molecular Calculations
  • Q-Chem: Quantum Chemistry Software for Large Systems
  • Quantum Chemistry (QC) on Gpus March 2018 Overview of Life & Material Accelerated Apps


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