All Categories

History

  1. Metoree
  2. Analysis Software
  3. Multivariate Analysis Software
  4. Quantum Chemistry Reaction plus Pro 2 (HPC Systems Co., Ltd.)
Quantum Chemistry Reaction plus Pro 2-Reaction plus Pro 2
Quantum Chemistry Reaction plus Pro 2-HPC Systems Co., Ltd.

Quantum Chemistry Reaction plus Pro 2
HPC Systems Co., Ltd.

About This Product

■Product overview

Until now, finding reaction routes required experience and intuition, and optimizing the transition state (TS) structure, which is the key, has always been extremely difficult. Furthermore, even if the TS was determined, there were many cases in which vibration analysis revealed a TS that had nothing to do with the reaction, or IRC calculations did not work well from the TS, resulting in the reaction path not being determined. Reaction plus Pro/Express is software that makes good use of ``researcher's sense'' and ``simulation technology.'' Just specify the reactants and products and the reaction path will be automatically calculated. Version 2 is now available for Reaction plus Pro/Express. It is now possible to calculate various reaction systems that were not possible with the conventional Reaction plus, such as enzymatic reactions using the ONIOM method, heterogeneous catalytic reactions, and open-shell reactions.

■Easily find transition states.

In conventional transition state optimization methods, it is necessary to specify a structure close to the desired transition state structure as the initial structure, which requires great craftsmanship. Reaction plus optimizes the entire reaction path based on the Nudged Elastic Band (NEB) method. All you need to specify is the structure before and after the reaction. The reaction path is automatically optimized and the transition state structure along the path is easily determined.

■Features

- Supports ONIOM reaction systems, heterogeneous reaction systems, and open shell reaction systems. - In addition to GaussView, AMBER and GROMACS can be used to create input. -You can see the reaction through animation. - Comes with an easy-to-understand tutorial. There are also support options.

■Calculation example

・Intramolecular proton transfer reaction of vinyl alcohol ・Diels-Alder reaction ・Wittig reaction ・Inclusion process of Ar atom into fullerene ・Fixation of CO2 ・Sn-catalyzed [3 + 2] cycloaddition reaction of allyl sulfide ・Cycloaddition reaction catalyzed by Ru porphyrin complex ・Computational reaction design: Generation of boron zinc ate ​​complex

■Operating environment (OS)

・Red Hat Enterprise Linux 6/7/8, CentOS 6/7/8 ・Windows 10/8.1/7, Windows Server 2012 R2/2012

  • Product

    Quantum Chemistry Reaction plus Pro 2

Share this product


50+ people viewing

Free
Get started with our free quotation service - no cost, no obligation.

No Phone Required
We respect your privacy. You can receive quotes without sharing your phone number.

1 Models of Quantum Chemistry Reaction plus Pro 2

Image Part Number Price (excluding tax)
Quantum Chemistry Reaction plus Pro 2-Part Number-Reaction plus Pro 2

Reaction plus Pro 2

Available upon quote

Customers who viewed this product also viewed

Reviews shown here are reviews of companies.

Compatible with a wide range of fields and achieves a 5x or 10x increase in productivity. Next-generation development support tool with automatic generation function Super System Generator (SSG)-Softthink Co., Ltd.

Compatible with a wide range of fields and achieves a 5x or 10x increase in productivity. Next-generation development support tool with automatic generation function Super System Generator (SSG)

Softthink Co., Ltd.

80+ people viewing

Last viewed: 3 minutes ago

Multivariate Analysis Software
AI prediction/causal search/predictive maintenance tool NTech Predict-Neutral Co., Ltd.

AI prediction/causal search/predictive maintenance tool NTech Predict

Neutral Co., Ltd.

$2,080.00

210+ people viewing

Last viewed: 3 hours ago

Multivariate Analysis Software

3 models listed

Quantification (UQ) Software Tool SmartUQ-Measurement Engineering System Co., Ltd.

Quantification (UQ) Software Tool SmartUQ

Measurement Engineering System Co., Ltd.

100+ people viewing

Last viewed: 10 hours ago

Multivariate Analysis Software
multi multivariate-I-STAT Co., Ltd.

multi multivariate

I-STAT Co., Ltd.

210+ people viewing

Last viewed: 11 hours ago

Multivariate Analysis Software

3 models listed

Interface for drug discovery support software myPresto MF myPresto v3.5-Fearax Co., Ltd.

Interface for drug discovery support software myPresto MF myPresto v3.5

Fearax Co., Ltd.

130+ people viewing

Last viewed: 23 hours ago

Multivariate Analysis Software

3 models listed

Structural analysis program SPHinx-SOLID-SPH Institute Co., Ltd.

Structural analysis program SPHinx-SOLID

SPH Institute Co., Ltd.

90+ people viewing

Last viewed: 20 minutes ago

Response time: 303.20 hours

Multivariate Analysis Software

2 models listed

Cyber ​​Intelligence Maltego-Anchor Technologies Co., Ltd.

Cyber ​​Intelligence Maltego

Anchor Technologies Co., Ltd.

120+ people viewing

Last viewed: 2 hours ago

Multivariate Analysis Software

2 models listed

SPHinx-POWDER-SPH Institute Co., Ltd.

SPHinx-POWDER

SPH Institute Co., Ltd.

100+ people viewing

Last viewed: 3 hours ago

Response time: 303.20 hours

Multivariate Analysis Software

2 models listed

Fluid analysis program SPHinx-FLOW-SPH Institute Co., Ltd.

Fluid analysis program SPHinx-FLOW

SPH Institute Co., Ltd.

120+ people viewing

Last viewed: 9 hours ago

Response time: 303.20 hours

Multivariate Analysis Software

3 models listed

Preventive medical care business (systems) KenshinAnaryzer (data analysis system)-Office Mirai Co., Ltd.

Preventive medical care business (systems) KenshinAnaryzer (data analysis system)

Office Mirai Co., Ltd.

110+ people viewing

Last viewed: 2 hours ago

Multivariate Analysis Software
PC Sales/Setup Original PC Cluster Hyperion Cluster for MD-Fearax Co., Ltd.

PC Sales/Setup Original PC Cluster Hyperion Cluster for MD

Fearax Co., Ltd.

100+ people viewing

Last viewed: 8 hours ago

Multivariate Analysis Software

2 models listed

Work analysis software OTRS-TOAMEC Co., Ltd.

Work analysis software OTRS

TOAMEC Co., Ltd.

5.0

80+ people viewing

Last viewed: 23 hours ago

Response time: 25.11 hours

Multivariate Analysis Software
See More Multivariate Analysis Software Products

Other products of HPC Systems Co., Ltd.

Reviews shown here are reviews of companies.

High-end liquid-cooled workstation with one 4th generation Intel® Xeon® W-3400 processor HPC3000-XSRGPU4TP-LC-HPC Systems Co., Ltd.

High-end liquid-cooled workstation with one 4th generation Intel® Xeon® W-3400 processor HPC3000-XSRGPU4TP-LC

HPC Systems Co., Ltd.

90+ people viewing

Industrial Computers

2 models listed

High-end liquid-cooled workstation with two 5th generation Intel® Xeon® Scalable processors HPC5000-XER216TS-LC-HPC Systems Co., Ltd.

High-end liquid-cooled workstation with two 5th generation Intel® Xeon® Scalable processors HPC5000-XER216TS-LC

HPC Systems Co., Ltd.

60+ people viewing

Industrial Computers
High-end liquid-cooled workstation with two 4th generation Intel® Xeon® Scalable processors HPC5000-XSR216TS-LC-HPC Systems Co., Ltd.

High-end liquid-cooled workstation with two 4th generation Intel® Xeon® Scalable processors HPC5000-XSR216TS-LC

HPC Systems Co., Ltd.

50+ people viewing

Last viewed: 20 hours ago

Industrial Computers
High-end HPC workstation with two 5th generation Intel® Xeon® Scalable processors HPC5000-XER216TS-HPC Systems Co., Ltd.

High-end HPC workstation with two 5th generation Intel® Xeon® Scalable processors HPC5000-XER216TS

HPC Systems Co., Ltd.

60+ people viewing

Industrial Computers
High-end GPU workstation for Deep Learning HPC5000-XERGPU4TS-HPC Systems Co., Ltd.

High-end GPU workstation for Deep Learning HPC5000-XERGPU4TS

HPC Systems Co., Ltd.

70+ people viewing

Last viewed: 2 hours ago

Industrial Computers
High-end GPU workstation for Deep Learning HPC3000-EGNGPU4TC-HPC Systems Co., Ltd.

High-end GPU workstation for Deep Learning HPC3000-EGNGPU4TC

HPC Systems Co., Ltd.

60+ people viewing

Industrial Computers
HPC workstation with Intel® Xeon® W-2400/2500, 3400 processor HPC3000-XSR108TS-HPC Systems Co., Ltd.

HPC workstation with Intel® Xeon® W-2400/2500, 3400 processor HPC3000-XSR108TS

HPC Systems Co., Ltd.

70+ people viewing

Industrial Computers
Entry HPC workstation equipped with up to 24 cores of Intel® Core™ processor and can be equipped with GPU HPC2000-CRLGPU1TS-HPC Systems Co., Ltd.

Entry HPC workstation equipped with up to 24 cores of Intel® Core™ processor and can be equipped with GPU HPC2000-CRLGPU1TS

HPC Systems Co., Ltd.

70+ people viewing

Last viewed: 18 hours ago

Industrial Computers
Entry HPC workstation with up to 24 cores of Intel® Core™ processor HPC2000-CRL104TS-D6-HPC Systems Co., Ltd.

Entry HPC workstation with up to 24 cores of Intel® Core™ processor HPC2000-CRL104TS-D6

HPC Systems Co., Ltd.

50+ people viewing

Industrial Computers
HPC Workstation with 4th Generation Intel® Xeon® Scalable Processor HPC5000-XSR216TC-HPC Systems Co., Ltd.

HPC Workstation with 4th Generation Intel® Xeon® Scalable Processor HPC5000-XSR216TC

HPC Systems Co., Ltd.

60+ people viewing

Industrial Computers
High-end GPU server HPC3000-GH200R1S for Deep Learning-HPC Systems Co., Ltd.

High-end GPU server HPC3000-GH200R1S for Deep Learning

HPC Systems Co., Ltd.

80+ people viewing

Server Blades

2 models listed

Equipped with one 4th generation Intel® Xeon® Scalable processor (up to 60 cores) HPC3000-XSR116FS12R2S-HPC Systems Co., Ltd.

Equipped with one 4th generation Intel® Xeon® Scalable processor (up to 60 cores) HPC3000-XSR116FS12R2S

HPC Systems Co., Ltd.

60+ people viewing

File Server Resource Management

View more products of HPC Systems Co., Ltd.

About Company Handling This Product

HPC Systems Co., Ltd.

Related search keywords

Multivariate Analysis Software
Multivariate Analysis Software　HPC Systems Co., Ltd.
HPC Systems Co., Ltd.

This is the version of our website addressed to speakers of English in the United States. If you are a resident of another country, please select the appropriate version of Metoree for your country in the drop-down menu.

Copyright © 2025 Metoree