Natural Bond Orbit Analysis (NBO) Service

What is a natural bond orbit?

In quantum chemistry, a natural bond orbital or NBO is a calculated bonding orbital with maximum electron density. The NBOs are one of a sequence of natural localized orbital sets that include "natural atomic orbitals" (NAO), "natural hybrid orbitals" (NHO), "natural bonding orbitals" (NBO) and "natural (semi-)localized molecular orbitals" (NLMO). These natural localized sets are intermediate between basis atomic orbitals (AO) and molecular orbitals (MO):
Atomic orbital → NAO → NHO → NBO → NLMO → Molecular orbital

Natural Bond Orbit Analysis (NBO) Service

Overall solutions

CD ComputaBio can provide you with NBO analysis service. We can easily find out the number of atoms in the calculated molecule, the type and composition of various molecular orbitals, and the intramolecular and intermolecular hyperconjugate interactions. The following services are available from CD ComputaBio.

  • Natural Population Analysis
Natural Population Analysis
  • Natural Bond Orbital Analysis
Natural Bond Orbital Analysis
  • NHO Directional Analysis
NHO Directional Analysis
  • Perturbation Theory Energy Analysis
Perturbation Theory Energy Analysis

Our services

Project name Natural Bond Orbit Analysis (NBO) Service
Samples requirement Our natural bond orbit analysis (NBO) service requires you to provide specific requirements.
Timeline Decide according to your needs.
Deliverables We provide you with raw data and analysis service.
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Significance of natural bond orbit analysis

  • Standardize molecular orbital analysis.
  • Natural chemical shielding analysis.
  • Natural J-coupling analysis.
  • Improved natural resonance theory.
  • Improved natural localized molecular orbitals.
  • New matrix output.
  • Enhanced mixing directionality method, which can calculate the mixing direction of transition metals.

Natural Bond Orbit Analysis Service

CD ComputaBio can offer you but not limited to:

CD ComputaBio' natural bond orbit analysis (NBO) service can reduce the cost of later experiments. The natural bond orbit analysis (NBO) service is a personalized and customized innovative scientific research service. Before determining the corresponding analysis plan and price, each project needs to be evaluated. If you want to know more about service prices or technical details, please feel free to contact us.

* It should be noted that our service is only used for research, not for clinical use.

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