Exploration on Quantum Chemical Potential Energy Surfaces
Language: English
Published by Royal Society of Chemistry, GB, 2022
- Hardcover
- New
Seller: Rarewaves USA United, HEBRON, KY, U.S.A.Rarewaves USA United
AbeBooks seller since June 20, 2025
Condition: New
£ 157.39
Quantity: Over 20 available
Add to basketItem description from seller
Written chemical formulas, such as C2H6O, can tell us the constituent atoms a molecule contains but they cannot differentiate between the possible geometrical arrangements (isomers) of these models. Yet the chemical properties of different isomers can vary hugely. Therefore, to understand the world of chemistry we need to ask what kind of isomers can be produced from a given atomic composition, how are isomers converted into each other, how do they decompose into smaller pieces, and how can they be made from smaller pieces? The answers to these questions will help us to discover new chemistry and new molecules. A potential energy surface (PES) describes a system, such as a molecule, based on geometrical parameters. The mathematical properties of the PES can be used to calculate probable isomer structures as well as how they are formed and how they might behave.Exploration on Quantum Chemical Potential Energy Surfaces focuses on the PES search based on quantum chemical calculations. It describes how to explore the chemical world on PES, discusses fundamental methods and specific techniques developed for efficient exploration on PES, and demonstrates several examples of the PES search for chemical structures and reaction routes.…
Seller Inventory # LU-9781839164903
- Title
- Exploration on Quantum Chemical Potential Energy Surfaces
- Author
- Hiroko Satoh, Koichi Ohno
- Publisher
- Royal Society of Chemistry, GB
- Publication year
- 2022
- Condition
- New
- Binding
- Hardback
- Language
- English
- ISBN 10
- 1839164905
- ISBN 13
- 9781839164903
- Item weight
- 559 grams
Providing several examples, this book describes fundamental methods and techniques specific for efficient exploration on the potential energy surface by quantum chemical calculations.
"Synopsis" may belong to another edition of this title.
About the Author
Koichi Ohno was born in 1945 at Hokkaido in Japan. He graduated from the University of Tokyo in 1968, and he obtained the degree of Doctor of Science in 1973. For 1975-1977 he was a Ramsay memorial fellow in UK. He became an academic staff of the University of Tokyo, as Research associate (1972-1980), Associate professor (1980-1989), and Professor (1989-1994). Then, he moved to the Department of Chemistry, Faculty of Science, Tohoku University. After he retired from Tohoku University, he became a Fellow at Toyota Physical and Chemical Research Institute for 2009-2013. From 2013, he has been the Director at Institute for Quantum Chemical Exploration.
Hiroko Satoh received Ph.D. degree (chemistry) from Ochanomizu University in 1996. The title of the Ph.D. thesis is “Study on Computer-aided Prediction of Organic Chemical Reactions”. She was a post-doctoral fellow at natural product total synthesis laboratory at RIKEN Institute in 1996-1998 and conducted her project on data-driven chemistry under a PRESTO program of Japan Science Technology Agency (JST) in 1998-2001. She was appointed as assistant professor in 2000 and promoted to associate professor in 2002 at National Institute of Informatics (NII), Tokyo, Japan. In 2015 she moved to University of Zurich and was concurrently appointed as associate professor at Research Organization of Information and Systems (ROIS), Tokyo Japan. Her research interests cover a broad range of development and applications of computational and data-driven chemistry.
"About the title" may belong to another edition of this title.
Rarewaves USA United
HEBRON, KY, U.S.A.
AbeBooks seller since June 20, 2025
Shipping rates within U.S.A.
| Item | 30 to 30 business days | 14 to 14 business days |
|---|---|---|
| First item | £ 37.49 | £ 50.24 |
Payment methods
Seller's business information
Rarewaves USA
10100 West Sample Road, Ste 101
Coral Springs, FL U.S.A. 33065
Right of withdrawal
If you are a consumer you can withdraw from the contract in accordance with the following. Consumer means any natural person who is acting for purposes which are outside his trade, business, craft or profession.
Information regarding the right of withdrawal
Statutory right to withdraw
You have the right to withdraw from this contract within 14 days without giving any reason.
The withdrawal period will expire after 14 days from the day on which you acquire, or a third party other than the carrier and indicated by you acquires, physical possession of the last good or the last lot or piece.
To exercise the right of withdrawal, electronically fill in and submit a clear statement on our website, under "My Purchases" in "My Account". We will communicate to you an acknowledgement of receipt of such a withdrawal on a durable medium (e.g. by e-mail) without delay.
To meet the withdrawal deadline, it is sufficient for you to send your communication concerning your exercise of the right of withdrawal before the withdrawal period has expired.
Effects of withdrawal
If you withdraw from this contract, we will reimburse to you all payments received from you, including the costs of delivery (except for the supplementary costs arising if you chose a type of delivery other than the least expensive type of standard delivery offered by us).
We may make a deduction from the reimbursement for loss in value of any goods supplied, if the loss is the result of unnecessary handling by you.
We will make the reimbursement without undue delay, and not later than 14 days after the day on which we are informed about your decision to withdraw from this contract.
We will make the reimbursement using the same means of payment as you used for the initial transaction, unless you have expressly agreed otherwise; in any event, you will not incur any fees as a result of such reimbursement.
We may withhold reimbursement until we have received the goods back, or you have supplied evidence of having sent back the goods, whichever is the earliest.
You shall send back the goods or hand them over to Rarewaves USA United, Coral Springs, Florida, U.S.A., without undue delay and in any event not later than 14 days from the day on which you communicate your withdrawal from this contract to us. The deadline is met if you send back the goods before the period of 14 days has expired. You will have to bear the direct cost of returning the goods. You are only liable for any diminished value of the goods resulting from the handling other than what is necessary to establish the nature, characteristics and functioning of the goods.
Exceptions to the right of withdrawal
The right of withdrawal does not apply to:
- The delivery of newspapers, journals or magazines with the exception of subscription contracts; and
- The supply of digital content which is not supplied on a tangible medium (e.g. on a CD or DVD) if you accepted when you placed your order that we could start to deliver it, and that you could not withdraw once delivery had started.
Shipping terms
Please note that we do not offer Priority shipping to any country.
We currently do not ship to the below countries:
Afghanistan
Bhutan
Brazil
Brunei Darussalam
Channel Islands
Chile
Israel
Lao
Mexico
Russian Federation
Saudi Arabia
South Africa
Yemen
Please do not attempt to place orders with any of these countries as a ship to address - they will be cancelled.