Theoretical studies on a carbonaceous molecular bearing: association thermodynamics and dual-mode rolling dynamics-Reference-Cited by-同舟云学术

Theoretical studies on a carbonaceous molecular bearing: association thermodynamics and dual-mode rolling dynamics

Published:2015 Issue:5 Volume:6 Page:2746-2753
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Isobe Hiroyuki¹²³⁴⁵,Nakamura Kosuke⁶⁴⁷⁸,Hitosugi Shunpei⁶⁴⁷⁸,Sato Sota¹²³⁴⁵,Tokoyama Hiroaki⁹¹⁰¹¹⁸,Yamakado Hideo⁹¹⁰¹¹⁸,Ohno Koichi⁶⁴⁷⁸¹²,Kono Hirohiko⁶⁴⁷⁸

Affiliation:

1. JST

2. ERATO

3. Isobe Degenerate π-Integration Project and Advanced Institute for Materials Research (AIMR)

4. Tohoku University

5. Sendai 980-8577

6. Department of Chemistry

7. Sendai 980-8578

8. Japan

9. Graduate School of Systems Engineering

10. Wakayama University

11. Wakayama-shi 640-8510

12. Institute for Quantum Chemical Exploration

Abstract

The dynamics of a carbonaceous molecular bearing were investigated by DFT methods to reveal dual-mode motions with a minute energy barrier.

Funder

Japan Society for the Promotion of Science

Ministry of Education, Culture, Sports, Science, and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2015/SC/C5SC00335K

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