Q-Chem is an ab initio quantum chemistry software package for fast and accurate simulations of molecular systems, including electronic and molecular structure, ...
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BrianQC is a GPU module for Q-Chem. It speeds up Density Functional Theory and Hartree-Fock single point up to an order of magnitude on a single GPU.
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This page contains a selection of teaching resources which are freely available for instructors to use, including tips on using Q-Chem and the IQmol interface ...
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Maybe you're interested in exploring some reaction kinetics or calculating a barrier height? Q-Chem provides a suite of tools for calculating and analyzing ...
Main Menu · 1 Introduction. 1.1 About This Manual · 2 Installation, Customization, and Execution. 2.1 Installing Q-Chem · 3 Q-Chem Inputs. 3.1 IQmol · 4 Self- ...
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Meet Our Developer Community. Q-Chem's developer community is active, well-established, and constantly growing, with over 100 active members in 9 countries. A ...
Q-Chem is a general-purpose electronic structure package featuring a variety of established and new methods implemented using innovative algorithms that ...
Q-Chem is a robust software platform with an extensive set of features. Whether you want to study spin-orbit coupling effects in a single-molecule magnet, ...
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