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Chang, Kiseok; Kim, Eunja; Weck, Philippe F.; Tomanek, David
Nanoconfinement effects on the reversibility of hydrogen storage in ammonia borane: A first-principles study
J. Chem. Phys. Vol.134, Iss. 21, pp 214501/1-214501/7
- DOI:
http://dx.doi.org/10.1063/1.3594115
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Deshmukh, Vinayak; Kharat, Bhagwat; Chaudhari, Ajay
Borazine in singlet, triplet and quintet state: spectroscopic characterization and nonlinear optical properties using Ab initio and density functional theory method
J. Comput. Theor. Nanosci. Vol. 9, Iss. 10, pp 1633-1641- DOI:
http://dx.doi.org/10.1166/jctn.2012.2257