@article{6fced1410f4d421da1ae7a31ff8e7452,
title = "Ab initio MD simulation of collision reaction between ammonia cluster ion and ammonia monomer",
abstract = "Ab initio molecular dynamic (MD) simulations were performed for investigating collision reaction between NH4+(NH3)2 trimer and ND3 monomer. Collision cross-section with the use of three criteria was obtained for the collision energy of 0.1-1.0 eV. The MD simulation showed that the reaction followed by the collision is closely connected with the degree of contact in the first collision.",
keywords = "Ab initio molecular dynamic simulation, Ammonia cluster ion, Collision cross-section, Collision reaction, Ionic nucleation process",
author = "Hiromi Nakai and Yusuke Yamauchi and Aiko Matsuda and Yoshiki Okada and Kazuo Takeuchi",
note = "Funding Information: Part of the calculations was performed at the Research Center for Computational Science (RCCS) of the Okazaki National Research Institutes and the Media Network Center (MNC) of Waseda University. Part of this study was supported by a Grant-in-Aid for Scientific Research on Priority Areas {\textquoteleft}Molecular Physical Chemistry{\textquoteright} from the Japanese Ministry of Education, Culture, Sports, Science, and Technology, and by a Waseda University Grant for Special Research Projects. ",
year = "2002",
month = sep,
day = "13",
doi = "10.1016/S0166-1280(02)00227-0",
language = "English",
volume = "592",
pages = "61--67",
journal = "Computational and Theoretical Chemistry",
issn = "2210-271X",
publisher = "Elsevier BV",
number = "1-3",
}