Featured Research

from universities, journals, and other organizations

Computational Actinide Chemistry: Are We There Yet?

Date:
August 25, 2007
Source:
DOE/Pacific Northwest National Laboratory
Summary:
Ever since the Manhattan project in World War II, actinide chemistry has been essential for nuclear science and technology. Yet scientists still seek the ability to interpret and predict chemical and physical properties of actinide compounds and materials using first principle theory. Computational actinide chemistry may bring that goal closer to achievement.

Researchers are identifying molecules such as the so-called Klaui ligand that can effectively extract uranium and other actinides from their natural environment.
Credit: Pacific Northwest National Laboratory

Ever since the Manhattan project in World War II, actinide chemistry has been essential for nuclear science and technology. Yet scientists still seek the ability to interpret and predict chemical and physical properties of actinide compounds and materials using first principle theory. Computational actinide chemistry may bring that goal closer to achievement.

Related Articles


PNNL scientist Jun Li will provide an overview of developments in computational actinide chemistry at the national meeting of the American Chemical Society.

Progress in relativistic quantum chemistry, computer hardware and computational chemistry software has enabled computational actinide chemistry to emerge as a powerful and predictive tool for research in actinide chemistry.

"These discoveries will have deep impact for heavy-element science and will greatly improve the fundamental understanding of actinides essential to develop advanced nuclear energy systems, atomic weapons and environmental remediation technologies," Li said. Li's presentation will focus on applications of relativistic ab initio and density functional theory (DFT) methodologies to actinide complexes. Special emphasis will be given to applications of DFT methods to the geometries, electronic structures, spectroscopy and excited-state properties of various actinide compounds, from small actinide-containing molecules to large organoactinide systems.

Researchers are identifying molecules such as the so-called Klaui ligand that can effectively extract uranium and other actinides from their natural environment.


Story Source:

The above story is based on materials provided by DOE/Pacific Northwest National Laboratory. Note: Materials may be edited for content and length.


Cite This Page:

DOE/Pacific Northwest National Laboratory. "Computational Actinide Chemistry: Are We There Yet?." ScienceDaily. ScienceDaily, 25 August 2007. <www.sciencedaily.com/releases/2007/08/070821143617.htm>.
DOE/Pacific Northwest National Laboratory. (2007, August 25). Computational Actinide Chemistry: Are We There Yet?. ScienceDaily. Retrieved December 18, 2014 from www.sciencedaily.com/releases/2007/08/070821143617.htm
DOE/Pacific Northwest National Laboratory. "Computational Actinide Chemistry: Are We There Yet?." ScienceDaily. www.sciencedaily.com/releases/2007/08/070821143617.htm (accessed December 18, 2014).

Share This


More From ScienceDaily



More Matter & Energy News

Thursday, December 18, 2014

Featured Research

from universities, journals, and other organizations


Featured Videos

from AP, Reuters, AFP, and other news services

Navy Unveils Robot Fish

Navy Unveils Robot Fish

Reuters - Light News Video Online (Dec. 18, 2014) The U.S. Navy unveils an underwater device that mimics the movement of a fish. Tara Cleary reports. Video provided by Reuters
Powered by NewsLook.com
3D Printed Cookies Just in Time for Christmas

3D Printed Cookies Just in Time for Christmas

Reuters - Innovations Video Online (Dec. 18, 2014) A tech company in Spain have combined technology with cuisine to develop the 'Foodini', a 3D printer designed to print the perfect cookie for Santa. Ben Gruber reports. Video provided by Reuters
Powered by NewsLook.com
Ford Expands Air Bag Recall Nationwide

Ford Expands Air Bag Recall Nationwide

Newsy (Dec. 18, 2014) The automaker added 447,000 vehicles to its recall list, bringing the total to more than 502,000. Video provided by Newsy
Powered by NewsLook.com
How Sony Hopes To Make Any Glasses 'Smart'

How Sony Hopes To Make Any Glasses 'Smart'

Newsy (Dec. 17, 2014) Sony's glasses module attaches to the temples of various eye- and sunglasses to add a display and wireless connectivity. Video provided by Newsy
Powered by NewsLook.com

Search ScienceDaily

Number of stories in archives: 140,361

Find with keyword(s):
Enter a keyword or phrase to search ScienceDaily for related topics and research stories.

Save/Print:
Share:

Breaking News:

Strange & Offbeat Stories


Space & Time

Matter & Energy

Computers & Math

In Other News

... from NewsDaily.com

Science News

Health News

Environment News

Technology News



Save/Print:
Share:

Free Subscriptions


Get the latest science news with ScienceDaily's free email newsletters, updated daily and weekly. Or view hourly updated newsfeeds in your RSS reader:

Get Social & Mobile


Keep up to date with the latest news from ScienceDaily via social networks and mobile apps:

Have Feedback?


Tell us what you think of ScienceDaily -- we welcome both positive and negative comments. Have any problems using the site? Questions?
Mobile: iPhone Android Web
Follow: Facebook Twitter Google+
Subscribe: RSS Feeds Email Newsletters
Latest Headlines Health & Medicine Mind & Brain Space & Time Matter & Energy Computers & Math Plants & Animals Earth & Climate Fossils & Ruins