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Gaussian (software)
Automated Construction of Quantum–Classical Hybrid Models Arxiv:2102.09355V1 [Physics.Chem-Ph] 18 Feb 2021
Starting SCF Calculations by Superposition of Atomic Densities
D:\Doc\Workshops\2005 Molecular Modeling\Notebook Pages\Software Comparison\Summary.Wpd
Modern Quantum Chemistry with [Open]Molcas
Benchmarking and Application of Density Functional Methods In
A Summary of ERCAP Survey of the Users of Top Chemistry Codes
The Molpro Quantum Chemistry Package
Computational Chemistry
Quantum Chemical Calculations of NMR Parameters
Chem3d 17.0 User Guide Chem3d 17.0
FIESTA: the Filipino Initiative on Electronic Structure Theory and Applications
Scale QM/MM-MD Simulations and Its Application to Biomolecular Systems
GPW and GAPW
Lecture 2: Standard Software and Visualization Tools
CHAPTER I - Introduction * * * ************************************
Manual.Pdf, with the HTML Version in the Directory Molpro/Doc/Manual/Index.Html
Firefly 8.0.0 Manual
Release65:Nwchem Documentation 1 Release65:Nwchem Documentation
Top View
Introduction and Overview
BROCHURE-2011-Web.Pdf
Finite Temperature Free Energy Calculations in Nwchem: Metadynamics and Umbrella Sampling-WHAM
Double-Hybrid DFT Functionals for the Condensed Phase: Gaussian and Plane Waves Implementation and Evaluation
The Jaguar Input File
Computational Quantum Chemistry Tools.Pdf
The Python-Based Simulations of Chemistry Framework (Pyscf)
Introduction to Gaussview and Gaussian
Evaluating the Use of Spartan in Studying the Effects of Charged Lysine Residues
New Chemistry with Gaussian 16 and Gaussview 6
Igvpt2 : an Interface to Computational Chemistry Packages for Anharmonic Corrections to Vibrational Frequencies
TDDFT As a Tool in Chemistry II
QM/MM Simulations of Catalytic Reactions
Electronic Structure Calculations in Quantum Chemistry
User Manual (Pdf)
Hyperchem.Pdf
GPW (GAPW) Electronic Structure Calculations
Jaguar User's Guide