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Molpro
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
CHEM:4480 Introduction to Molecular Modeling
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
The Electron Affinity of the Uranium Atom
Nwchem User Documentation Release 4.0.1
Scale QM/MM-MD Simulations and Its Application to Biomolecular Systems
GPW and GAPW
Lecture 2: Standard Software and Visualization Tools
Relativistic Coupled Cluster Theory - in Molecular Properties and in Electronic Structure Avijit Shee
GAMESS-UK USER's GUIDE and REFERENCE MANUAL Version 8.0
CHAPTER I - Introduction * * * ************************************
Manual.Pdf, with the HTML Version in the Directory Molpro/Doc/Manual/Index.Html
Turbomole USER's MANUAL
Relativistic Quantum Chemistry
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