Solvation energy (when implicit solvent model is used). Analyze shifts in structural and vibrational properties through geometry optimization and harmonic ...
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What does Q-Chem do?
Is Q-Chem free?
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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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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Try Q-Chem with IQmol ... IQmol is a free open-source molecular editor and visualization package. It offers a range of features including a molecular editor, ...
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Duration: 24:59
Posted: Feb 1, 2024
Posted: Feb 1, 2024
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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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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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