Page 332 - Korniy_dyser
P. 332
332
55. Taylor C., Kelly R.G., Neurock M. Theoretical analysis of the nature of
hydrogen at the electrochemical interface between water and a Ni(111)
single-crystal electrode. Journal of the Electrochemical Society. 2007. Vol.
154, Iss. 3. P. F55–F64.
56. Sankaranarayanan S.K.R.S., Ramanathan S. On the low-temperature
oxidation and ultrathin oxide growth on zirconium in the presence of
atomic oxygen: a modeling study. Journal of Physical Chemistry C. 2008.
Vol. 112, No. 46. P. 17877–17882.
57. Taylor C.D. Cohesive relations for surface atoms in the iron-technetium
binary system. Journal of Metallurgy. 2011. Vol. 2011, Article ID 954170.
8 p.
58. Greeley J., Nørskov J.K. Electrochemical dissolution of surface alloys in
acids: Thermodynamic trends from first-principles calculations.
Electrochimica Acta. 2007. Vol. 52. P. 5829–5836.
59. Spatschek R., Brener E., Karma A. Phase field modeling of crack
propagation. Philosophical Magazine. 2011. Vol. 91, no. 1. P. 75–95.
60. Ибрагимов И.М., Ковшов А.Н., Назаров Ю.Ф. Основы
компьютерного моделирования наносистем. Санкт-Петербург: Лань,
2010. 376 с.
61. Martin R. M. Electronic Structure: Basic Theory and Practical Methods.
Cambridge: Cambridge University Press, 2004. 435 p.
62. Cramer Christopher J. Essentials of Computational Chemistry Theories
and Models. New York: John Wiley & Sons Ltd, 2004. 596 р.
63. Combining molecular dynamics and ab initio quantum-chemistry to
describe electron transfer reactions in electrochemical environments / D.
Domınguez-Ariza, C. Hartnig, C. Sousa, F. Illas. Journal of Chemical
Physics. 2004. Vol. 121, no. 2. P. 1066–1073.
64. Structural evolution and properties of subnanometer Tc n (n = 2–15)
clusters / P. F. Weck, E. Kim, F. Poineau, K. R. Czerwinski. Physical
Chemistry Chemical Physics. 2009. Vol.11, no. 43. P. 10003–10008.