Bio Integrated package for ab initio quantum chemical calculations Q-Chem
Hulinks Co., Ltd.

About This Product

■Q-Chem: The driving force behind technological innovationQ-Chem is an integrated package of ab initio quantum chemistry calculations for accurately predicting the structure, reactivity, vibrational, electronic, and NMR spectra of molecules. It can run on Linux, macOS or Windows on a laptop or desktop, cluster, or supercomputer center.

■Density Functional Theory (DFT)Supports LDA, GGA, meta-GGA, hybrid of GGA and meta-GGA, Range-Separated hybrid, and double-hybrid functionals. Evaluate single-point energies, structural optimization, vibrational calculations, and many other properties for ground states and excited states using time-dependent DFT.

■Electronic correlationModern tools are available for dealing with electron correlation effects, such as Møller-Plesset perturbation theory and Coupled-Cluster Methods. Special techniques such as CASSCF, coupled cluster valence bonding (CCVB), Selected CI, RAS-CI, Spin-Flip, and V2-RDM methods can be used for strongly correlated systems.

■Excited state methodVarious electronic excited state study techniques are available, including CIS, TD-DFT, NOCI, EOM-CC, and ADC. These techniques cover a wide variety of electronic states and enable the simulation of spectroscopic features, charge and energy transfer, and nonadiabatic dynamics. Additionally, you can gain deeper insight into excited states by using the wave function analysis module.

■Solvation and embeddingWe offer modeling solutions for a variety of solvation systems, from implicit solvent models such as SM8, COSMO, and C-PCM to effective fragment potential methods (EFP) that handle explicit solvent effects. Additionally, various embedding techniques such as QM/MM and density embedding are provided, as well as interfaces to CHARMM and GROMACS.

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Chemistry/Computational Chemistry/Bio Integrated package for ab initio quantum chemical calculations Q-Chem

Handling Company
Hulinks Co., Ltd.

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1 Models of Chemistry/Computational Chemistry/Bio Integrated package for ab initio quantum chemical calculations Q-Chem

Image	Part Number	Price (excluding tax)	Operating environment HDD	Operating environment Linux 64-bit	Operating environment Windows 64-bit	Operating environment macOS Intel 64-bit	Operating environment Memory
	Q-Chem 6.2	Available upon quote	1.4 GB (at installation) + scratch disk	Latest Linux distributions: RHEL, CentOS, SuSE, Debian, Ubuntu, …	Windows 8, 10, 11	El Capitan (10.11) and later	2 GB (per CPU core)

About Company Handling This Product

Hulinks Co., Ltd.

Chemistry/Computational Chemistry/Bio Integrated package for ab initio quantum chemical calculations Q-Chem Hulinks Co., Ltd.

About This Product

■Q-Chem: The driving force behind technological innovation

■Density Functional Theory (DFT)

■Electronic correlation

■Excited state method

■Solvation and embedding

1 Models of Chemistry/Computational Chemistry/Bio Integrated package for ab initio quantum chemical calculations Q-Chem

Q-Chem 6.2

About Company Handling This Product

Chemistry/Computational Chemistry/Bio Integrated package for ab initio quantum chemical calculations Q-Chem
Hulinks Co., Ltd.