Virtually going green: The role of quantum computational chemistry in reducing pollution and toxicity in chemistry

Virtually going green: The role of quantum computational chemistry in reducing pollution and... AbstractContinuing advances in computational chemistry has permitted quantum mechanical calculation to assist in research in green chemistry and to contribute to the greening of chemical practice. Presented here are recent examples illustrating the contribution of computational quantum chemistry to green chemistry, including the possibility of using computation as a green alternative to experiments, but also illustrating contributions to greener catalysis and the search for greener solvents. Examples of applications of computation to ambitious projects for green synthetic chemistry using carbon dioxide are also presented. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Physical Sciences Reviews de Gruyter

Virtually going green: The role of quantum computational chemistry in reducing pollution and toxicity in chemistry

Loading next page...
 
/lp/degruyter/virtually-going-green-the-role-of-quantum-computational-chemistry-in-Wwl1DqNv9F
Publisher
De Gruyter
Copyright
© 2017 Walter de Gruyter GmbH, Berlin/Boston
ISSN
2365-6581
eISSN
2365-659X
D.O.I.
10.1515/psr-2017-0005
Publisher site
See Article on Publisher Site

Abstract

AbstractContinuing advances in computational chemistry has permitted quantum mechanical calculation to assist in research in green chemistry and to contribute to the greening of chemical practice. Presented here are recent examples illustrating the contribution of computational quantum chemistry to green chemistry, including the possibility of using computation as a green alternative to experiments, but also illustrating contributions to greener catalysis and the search for greener solvents. Examples of applications of computation to ambitious projects for green synthetic chemistry using carbon dioxide are also presented.

Journal

Physical Sciences Reviewsde Gruyter

Published: Jul 19, 2017

There are no references for this article.

You’re reading a free preview. Subscribe to read the entire article.


DeepDyve is your
personal research library

It’s your single place to instantly
discover and read the research
that matters to you.

Enjoy affordable access to
over 18 million articles from more than
15,000 peer-reviewed journals.

All for just $49/month

Explore the DeepDyve Library

Search

Query the DeepDyve database, plus search all of PubMed and Google Scholar seamlessly

Organize

Save any article or search result from DeepDyve, PubMed, and Google Scholar... all in one place.

Access

Get unlimited, online access to over 18 million full-text articles from more than 15,000 scientific journals.

Your journals are on DeepDyve

Read from thousands of the leading scholarly journals from SpringerNature, Elsevier, Wiley-Blackwell, Oxford University Press and more.

All the latest content is available, no embargo periods.

See the journals in your area

DeepDyve

Freelancer

DeepDyve

Pro

Price

FREE

$49/month
$360/year

Save searches from
Google Scholar,
PubMed

Create lists to
organize your research

Export lists, citations

Read DeepDyve articles

Abstract access only

Unlimited access to over
18 million full-text articles

Print

20 pages / month

PDF Discount

20% off