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MOLPRO
Molpro
Supporting Information
Popular GPU-Accelerated Applications
Molpro
Benchmarking and Application of Density Functional Methods In
A Summary of ERCAP Survey of the Users of Top Chemistry Codes
Porting the DFT Code CASTEP to Gpgpus
The Molpro Quantum Chemistry Package
Ab Initio Theoretical Chemical Kinetics
1 Advances in Electronic Structure Theory: Gamess a Decade Later Mark S. Gordon and Michael W. Schmidt Department of Chemistry A
FIESTA: the Filipino Initiative on Electronic Structure Theory and Applications
Computational Chemistry: a Practical Guide for Applying Techniques to Real-World Problems
Wmpack –Version 1.0
What Is the Price of Open-Source Software? 8 9 Anna I
Qcengine Documentation Release V0.19.0+13.G0c52306.Dirty
Multiwfn - a Multifunctional Wavefunction Analyzer
ZHUOFAN SHEN Chemistry, Shanghai New York University 1555# Century Avenue, Pudong New Area, Shanghai Phone: +86 15370073076 Email:
[email protected]
Understanding and Integrating Quantum Chemistry Byte by Byte
Top View
Manual.Pdf, with the HTML Version in the Directory Molpro/Doc/Manual/Index.Html
Deployment of Compchem VO Osvaldo Gervasi and Antonio Laganà University of Perugia, Italy Den Haag, Nov 24, 2004
Molecvue Workshop on Computational Chemistry in the Undergraduate Curriculum
BROCHURE-2011-Web.Pdf
Electronic Structure Calculations and Properties of Alkaline-Earth Molecular Ions Sandipan Banerjee University of Connecticut - Storrs,
[email protected]
Supplementary Material T1
Choice of Optimal Shift Parameter for the Intruder State Removal Techniques in Multireference Perturbation Theory Shu-Wei Chang and Henryk A
The Python-Based Simulations of Chemistry Framework (Pyscf)
From Nwchem to Nwchemex: Evolving with the Computational
Quantum Chemistry at Work (1) Introduction, General Discussion, Methods, Benchmarking
1 Introduction
What Is the Price of Open-Source Software?
Web-Based Computational Chemistry Calculations in Education and Research
Igvpt2 : an Interface to Computational Chemistry Packages for Anharmonic Corrections to Vibrational Frequencies
Advances in Molecular Quantum Chemistry Contained in the Q-Chem 4 Program Package
Quantum Chemistry Many-Body Methods on Gpus and Multicore Cpus
Cirrus Documentation Release 1.2
Scalable Software Development.6 Among the Factors That Appear Important Are the Following: 1) Technical Advances Required to Achieve Good Code Scalability