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The following materials are provided for use by our resellers and developers.  Please feel free to download, print and distribute.

 

White Papers

XSAPT Whitepaper Extended Symmetry-Adapted Perturbation Theory (XSAPT)   BrianQC Whitepaper BrianQC GPU Acceleration Module
Resolution of Identity whitepaper for distribution Resolution of the Identity (Density Fitting) Features / occ-RI-K for Exact Exchange   DFT Features / DFT Parallel Performance whitepaper DFT Features / DFT Parallel Performance
Correlated Methods for Core-Level Spectra whitepaper

 

Correlated Methods for Core-Level Spectra   X-ray Absorption and Emission Spectra Simulation Using TDDFT X-ray Absorption and Emission Spectra Simulation Using TDDFT
X-ray Photoelectron Spectroscopy in Ground and Excited States whitepap X-ray Photoelectron Spectroscopy in Ground and Excited States   s Simulating Photoelectron Spectroscopy using Q-Chem with ezDyson and ezSpectrum
Detailed Analysis of Excited-State Wave Functions whitepaper Detailed Analysis of Excited-State Wave Functions   Excited State Orbital Optimization with Square Gradient Minimization Excited State Orbital Optimization with Square Gradient Minimization
Excited State Properties from Analytical TDDFT Hessians whitep Excited State Properties from Analytical TDDFT Hessians  

Raman spectroscopyu whitepaper

Resonance Raman Spectroscopy Simulation
Environmental Effects: Solvation Models, EFP, QM/MM whitepaper Environmental Effects: Solvation Models, EFP, QM/MM   Excited States and Open-Shell Species Excited States and Open-Shell Species
Reaction Paths, Vibrational Analysis & Molecular Dynamics Reaction Paths, Vibrational Analysis & Molecular Dynamics   Post Hartree-Fock Features whitepaper Post Hartree-Fock Features
Effective Core Potentials for Heavy Elements whitepaper Effective Core Potentials for Heavy Elements   Property Analysis whitepaper Property Analysis
Computational Efficiency whitepaper Computational Efficiency   Nuclear-Electronic Orbital (NEO) Methods whitepaper Nuclear-Electronic Orbital (NEO) Methods
Absolutely Localized Molecular Orbitals Based Energy Decomposition Analysis (ALMO-EDA) for Intermolecular Binding Interactions white Absolutely Localized Molecular Orbitals Based Energy Decomposition Analysis (ALMO-EDA) for Intermolecular Binding Interactions   Analyzing the Effect of Charge Transfer Using Absolutely Localized Molecular Orbitals whitepaper Analyzing the Effect of Charge Transfer Using Absolutely Localized Molecular Orbital

 

 

 

 

Gaussian Comparative Paper

 

COMPARATIVE PAPER

Q-Chem vs. Gaussian - Updated 2019

This is a comparative analysis for the features that set Q-Chem apart from Gaussian, as well as a list of features that cannot be found in Gaussian.

 

PUBLISHER LOGO

 

Q-CHEM PAPER

Publication: Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
To be printed on 8.5 x 11 paper

Published Taylor & Francis Group, Molecular Physics:  An International Journal at the Interface Between Chemistry and Physics, Volume 113, Issue 2, 2015.

 

YOUTUBE IMAGE

Q-CHEM INSTRUCTIONAL VIIDEOS

Q-Chem Webinar MP4 Files
For those of you who cannot access our YouTube site, you can find the MP4 files here.