Content on this page requires a newer version of Adobe Flash Player.

Get Adobe Flash player

Services

 

Nanochemistry:

- Functionalization of nanotubes
- Organiic synthesis
- Polyelectrolytes
- TEM imaging

Environmental chemistry:

- Analysis of pollutants
- Purification methods
- Soil and water samples

 

Research Areas

- Toxicology
- Energy Sciences
- Pollution dynamics
- Water pollution circulation
- Life cycle of pollutants
- Heavy Metals
- Molecular interactions
- Environmental remediation
- Waste management
- Exotic Materials

 

 

Fjordforsk A.S. Midtun, 6894 Vangsnes, Norway.
Org.nr: 911659654 | www.fjordforsk.no

Electronic analysis of the active space of high-energy transition metals.

 

Collaborating Institute:

Sanofi US - Tucson Research Center, 2090 East Innovation Park Drive, Oro Valley, AZ 85755.


Project duration: 2015

Project description:

The active space of high-energy elements is an important part of the physics behind metal alloys, and provides information for fabricating new materials such as ultra-hard and light nano-materials for aerospace engineering. These active space configurations play in turn an important role for their magnetic, caloric, ferromagnetic and spintronic properties. In this context, this project encompasses to study the active space of Rhenium, which is one of the earth's rarest transition metals, and is usualy applied in jet-propulsion systems and aerospace engineering. Rhenium is known to occur in poly-coordinated nuclear state, and has not been recorded in a dinuclear system. This project reports therefore the active space of Rhenium in its dinuclear state by ab initio quantum mechanics method. The study includes frequencies and enthalpies and physical data including the orbtial and energy levels of this rare metallic dinuclear system, which not only is important for engineering of new materials, but introduces also new data for the detection of new molecular species in nebulae and supernovae via radiotelescopes.


Keywords: High-energy metals, electronic configuration, astrochemistry, frequency, Rhenium, dimer, ab initio, quantum mechanics, Psi-code.


Project participants: Manzetti S. and Patek, M.

 

Publications:

Manzetti S, Patek M. (2016). The accurate wavefunction of the active space of the rhenium dimer resolved using the ab initio Brueckner coupled-cluster method. Structural Chemistry, 27(4), 1071-1080


 

Fjordforsk is a member of the American Chemical Society. Please visit the society following the logo below.

News

 

10 Apr.: New study on semiconducting nanomaterials for spintronics and nanoelectronics published. Read more

27 Okt.: Review on biochemical effects from exhaust emissions published in Pathophysiology. Read more

8th Sept.: New study on the binding of pollutants to human proteins published at the American Chemical Society. Read more

Home | Collaborations | Publications | Projects | Contact | Services

Content on this page requires a newer version of Adobe Flash Player.

Get Adobe Flash player