Structure, spectroscopy and electronic properties of neutral lattice-like (MgO) n clusters: a study based on a blending of DFT with stochastic algorithms inspired by natural processes
Author:
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics
Link
http://link.springer.com/content/pdf/10.1007/s11224-014-0394-6.pdf
Reference95 articles.
1. Sahoo SK, Pal S, Sarkar P, Majumder C (2011) Chem Phys Lett 516:6871
2. Saha S, Sarkar S, Pal S, Sarkar P (2013) RSC Adv 3:532–539
3. Pal S, Sharma R, Goswami B, Sarkar P (2009) Chem Phys Lett 467:365–368
4. Liang SHC, Gay ID (1986) J Catal 101:293
5. Tsuji H, Yagi F, Hattori H, Kita H (1994) J Catal 148:759
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