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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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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Discover even more of Q-Chem's functionality by perusing our selection of whitepapers. Each of the pages below gives a quick overview of a specific feature ...
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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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Whether you're teaching an advanced graduate-level theoretical chemistry course, or you're leading a group of undergraduates into the exciting world of quantum ...
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In a DFT calculation with ECPs, the exchange-correlation energy is obtained entirely from the non-core electrons. This will be satisfactory if there are no ...
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Contents · 1 Introduction · 1.1 About This Manual · 2 Installation, Customization, and Execution · 2.1 Installation Requirements · 3 Q-Chem Inputs · 3.1 IQmol · 4 ...
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Q-Chem, Pleasanton, California. 2K likes · 17 were here. Software Development - Chemistry Software.
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