Fullerene Quantum Chemistry Computing Service
According to the theory of molecular orbital, quantum chemistry obtains the molecular orbital wave function and corresponding energy by solving the Schrödinger equation of the molecular system, as well as the electronic structure of the molecule and the total energy of the system. This is the basic content of quantum chemistry calculations. And through further calculations, the electron ionization energy, charge density distribution, dipole moment, bond level, geometric configuration and molecular potential energy surface are obtained. Now, Creative BioMart Nanocage provide you with comprehensive fullerene quantum chemistry computing service according to your scientific needs.
Fullerene Quantum Chemistry Computing Service We Offer
- Creative BioMart Nanocage used the Gaussian94 program to study the geometric structure and electronic structure characteristics of fullerenes and their derivatives using the HF/3-21G and B3LYP/3-21G basis sets.
- Creative BioMart Nanocage can calculate the energy of all fullerene isomers for you, and use the stability standards of non-independent five-membered ring fullerene derivatives to perform five-membered ring distribution analysis, bond resonance energy analysis and steric tension analyze.
- Specifically, we provide the calculation results. You can communicate with our scientific researchers according to your needs:
- Geometric configuration calculation
- Electronic structure calculation
- Molecular energy calculation
- Hydrophobic constant calculation
- Polarizability and dipole moment calculation
Provided by Clients
Please inform us of your specific fullerene quantum chemistry computing service details, and we can provide customized solutions for different services.
Deliverables
- Geometric configuration calculation raw data and result analysis
- Electronic structure calculation raw data and result analysis
- Molecular energy calculation raw data and result analysis
- Hydrophobic constant calculation raw data and result analysis
- Polarizability and dipole moment calculation raw data and result analysis
Our Advantages
- Creative BioMart Nanocage has professional computational experts. You only need to briefly describe your service needs, and our experts will provide you with customized solutions and communicate service details with you.
- Our team has deep scientific literacy and years of experience in the industry, and can bring more profound and in-depth professional knowledge and rich experience to customers.
- With advanced modeling and quantum chemistry software, our team is committed to providing customers with a full range of fullerene quantum chemistry computing support and services.
- We have strict quality control on every step of fullerene quantum chemistry computing service to ensure that our customers get high-quality data.
Service Procedure
Please inform us of your fullerene functionalization service details through online consultation. We will reply to you in time and provide you with a comprehensive evaluation report on your project, including the feasibility of the project and the detailed experimental plan designed by our professionals.
Why Choose Us?
Creative BioMart Nanocage will work closely with you to advance your project. Our service can significantly reduce the cost and labor of follow-up experiments. We look forward to working with you to help your drug development project succeed. Creative BioMart Nanocage provides a variety of fullerene quantum chemistry computing services. Our service has proven to be very special to the stage of scientific research and development. The expert team can choose to help you design an overall service plan and result forecast, so that you don't have to worry about technical problems. For more detailed information, please feel free to contact us or directly sent us an inquiry.
