Conformational transitions in polycyclic molecules C13H9 and C14H10

Alexander I. Melker; Dimitri A. Kornilov; Tatiana V. Vorobyeva; Alexander A. Ivanov

doi:10.1117/12.555443

5 April 2004 Conformational transitions in polycyclic molecules C₁₃H₉ and C₁₄H₁₀

Alexander I. Melker, Dimitri A. Kornilov, Tatiana V. Vorobyeva, Alexander A. Ivanov

Proceedings Volume 5400, Seventh International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering; (2004) https://doi.org/10.1117/12.555443
Event: 2003 Chapter books, 2003, Bellingham, WA, United States

Abstract

In this contribution we report on a study of structure changes of polycyclic molecules C₁₃H₉ and C₁₄H₁₀ in the temperature range from 100 to 1400 K. We have used a new molecular dynamics with charges at bonds and have studied time dependence of interatomic distances at these temperatures. It was found that the interatomic distances can serve as a criterion for conformation transitions between different conformations. Explanation is based on the theory of stability and the theory of parametric resonance.

Citation Download Citation

Alexander I. Melker, Dimitri A. Kornilov, Tatiana V. Vorobyeva, and Alexander A. Ivanov "Conformational transitions in polycyclic molecules C₁₃H₉ and C₁₄H₁₀", Proc. SPIE 5400, Seventh International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering, (5 April 2004); https://doi.org/10.1117/12.555443

ACCESS THE FULL ARTICLE

INSTITUTIONAL
Select your institution to access the SPIE Digital Library.

SELECT YOUR INSTITUTION

PERSONAL
Sign in with your SPIE account to access your personal subscriptions or to use specific features such as save to my library, sign up for alerts, save searches, etc.

PERSONAL SIGN IN

No SPIE Account? Create one

PURCHASE THIS CONTENT

SUBSCRIBE TO DIGITAL LIBRARY

50 downloads per 1-year subscription

Members: $195

Non-members: $335 ADD TO CART

25 downloads per 1 - year subscription

Members: $145

Non-members: $250 ADD TO CART

PURCHASE SINGLE ARTICLE

Includes PDF, HTML & Video, when available