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Cited 7 time in webofscience Cited 7 time in scopus
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NH(4)(+) Resides Inside the Water 20-mer Cage As Opposed to H(3)O(+), Which Resides on the Surface: A First Principles Molecular Dynamics Simulation Study

Title
NH(4)(+) Resides Inside the Water 20-mer Cage As Opposed to H(3)O(+), Which Resides on the Surface: A First Principles Molecular Dynamics Simulation Study
Authors
Willow, SYN. Jiten SinghKim, KS
Date Issued
Oct-2011
Publisher
AMER CHEMICAL SOC
Keywords
ELECTRONIC-STRUCTURE CALCULATIONS; DENSITY-FUNCTIONAL THEORY; AB-INITIO; BASIS-SETS; SPECTROSCOPIC OBSERVATION; ROTATIONAL-DYNAMICS; INFRARED-SPECTRUM; CLUSTERS (H2O)(N); EXCITED-STATES; AMMONIUM ION
URI
http://oasis.postech.ac.kr/handle/2014.oak/17010
DOI
10.1021/CT200486C
ISSN
1549-9618
Article Type
Article
Citation
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 7, no. 11, page. 3461 - 3465, 2011-10
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