-
6
-
-
77956209597
-
-
Finšgar M., Peljhan S., Kokalj A., Kovač J., Milošev I. J. Electrochem. Soc. 2010, 157:C295-C301.
-
(2010)
J. Electrochem. Soc.
, vol.157
-
-
Finšgar, M.1
Peljhan, S.2
Kokalj, A.3
Kovač, J.4
Milošev, I.5
-
8
-
-
84878345851
-
Five-membered heterocycles with three heteroatoms: triazoles
-
Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany, J. Alvarez-Builla, J.J. Vaquero, J. Barluenga (Eds.)
-
Yet L. Five-membered heterocycles with three heteroatoms: triazoles. Modern Heterocyclic Chemistry 2011, 989-1045. Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany. J. Alvarez-Builla, J.J. Vaquero, J. Barluenga (Eds.).
-
(2011)
Modern Heterocyclic Chemistry
, pp. 989-1045
-
-
Yet, L.1
-
10
-
-
0003877758
-
-
CRC Press, Boca Raton, FL, D.R. Lide (Ed.)
-
CRC Handbook of Chemistry and Physics 2004, CRC Press, Boca Raton, FL. 85th ed. D.R. Lide (Ed.).
-
(2004)
CRC Handbook of Chemistry and Physics
-
-
-
12
-
-
33847073767
-
-
Pimienta I.S.O., Elzey S., Boatz J.A., Gordon M.S. J. Phys. Chem. A 2007, 111:691-703.
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 691-703
-
-
Pimienta, I.S.O.1
Elzey, S.2
Boatz, J.A.3
Gordon, M.S.4
-
15
-
-
84878346232
-
Ultrasoft pseudopotentials were taken from the Quantum Espresso Pseudopotential Download Page
-
Files: H.pbe-rrkjus.UPF, C.pbe-rrkjus.UPF, N.pbe-rrkjus.UPF, and Cu.pbe-d-rrkjus.UPF.
-
Ultrasoft pseudopotentials were taken from the Quantum Espresso Pseudopotential Download Page: <>, 2012. Files: H.pbe-rrkjus.UPF, C.pbe-rrkjus.UPF, N.pbe-rrkjus.UPF, and Cu.pbe-d-rrkjus.UPF. http://www.quantum-espresso.org/pseudo.php.
-
(2012)
-
-
-
16
-
-
70349568754
-
-
Giannozzi P., Baroni S., Bonini N., Calandra M., Car R., Cavazzoni C., Ceresoli D., Chiarotti G.L., Cococcioni M., Dabo I., Dal Corso A., de Gironcoli S., Fabris S., Fratesi G., Gebauer R., Gerstmann U., Gougoussis C., Kokalj A., Lazzeri M., Martin-Samos L., Marzari N., Mauri F., Mazzarello R., Paolini S., Pasquarello A., Paulatto L., Sbraccia C., Scandolo S., Sclauzero G., Seitsonen A.P., Smogunov A., Umari P., Wentzcovitch R.M. J. Phys.: Condens. Matter 2009, 21:395502.
-
(2009)
J. Phys.: Condens. Matter
, vol.21
, pp. 395502
-
-
Giannozzi, P.1
Baroni, S.2
Bonini, N.3
Calandra, M.4
Car, R.5
Cavazzoni, C.6
Ceresoli, D.7
Chiarotti, G.L.8
Cococcioni, M.9
Dabo, I.10
Dal Corso, A.11
de Gironcoli, S.12
Fabris, S.13
Fratesi, G.14
Gebauer, R.15
Gerstmann, U.16
Gougoussis, C.17
Kokalj, A.18
Lazzeri, M.19
Martin-Samos, L.20
Marzari, N.21
Mauri, F.22
Mazzarello, R.23
Paolini, S.24
Pasquarello, A.25
Paulatto, L.26
Sbraccia, C.27
Scandolo, S.28
Sclauzero, G.29
Seitsonen, A.P.30
Smogunov, A.31
Umari, P.32
Wentzcovitch, R.M.33
more..
-
24
-
-
84855574906
-
Computer program for bader charge analysis
-
A. Arnaldsson, W. Tang, G. Henkelman, et al., Computer program for bader charge analysis, 2011. <>. http://theory.cm.utexas.edu/bader/.
-
(2011)
-
-
Arnaldsson, A.1
Tang, W.2
Henkelman, G.3
-
25
-
-
77955309392
-
-
Valiev M., Bylaska E.J., Govind N., Kowalski K., Straatsma T.P., van Dam H.J.J., Wang D., Nieplocha J., Apra E., Windus T.L., de Jong W. Comput. Phys. Commun. 2010, 181:1477-1489.
-
(2010)
Comput. Phys. Commun.
, vol.181
, pp. 1477-1489
-
-
Valiev, M.1
Bylaska, E.J.2
Govind, N.3
Kowalski, K.4
Straatsma, T.P.5
van Dam, H.J.J.6
Wang, D.7
Nieplocha, J.8
Apra, E.9
Windus, T.L.10
de Jong, W.11
-
27
-
-
51049117514
-
-
Finšgar M., Lesar A., Kokalj A., Milošev I. Electrochim. Acta 2008, 53:8287-8297.
-
(2008)
Electrochim. Acta
, vol.53
, pp. 8287-8297
-
-
Finšgar, M.1
Lesar, A.2
Kokalj, A.3
Milošev, I.4
-
37
-
-
83755172167
-
-
Kokalj A., Kovačević N., Peljhan S., Finšgar M., Lesar A., Milošev I. ChemPhysChem 2011, 12:3547-3555.
-
(2011)
ChemPhysChem
, vol.12
, pp. 3547-3555
-
-
Kokalj, A.1
Kovačević, N.2
Peljhan, S.3
Finšgar, M.4
Lesar, A.5
Milošev, I.6
-
41
-
-
0001132752
-
-
Perdew J.P., Parr R.G., Levy M., Balduz J.L. Phys. Rev. Lett. 1982, 49:1691-1694.
-
(1982)
Phys. Rev. Lett.
, vol.49
, pp. 1691-1694
-
-
Perdew, J.P.1
Parr, R.G.2
Levy, M.3
Balduz, J.L.4
-
43
-
-
36749117171
-
-
Parr R.G., Donnelly R.A., Levy M., Palke W.E. J. Chem. Phys. 1978, 68:3801-3807.
-
(1978)
J. Chem. Phys.
, vol.68
, pp. 3801-3807
-
-
Parr, R.G.1
Donnelly, R.A.2
Levy, M.3
Palke, W.E.4
-
49
-
-
0002565639
-
-
Crabtree R.H., Eisenstein O., Sini G., Peris E. J. Organomet. Chem. 1998, 567:7-11.
-
(1998)
J. Organomet. Chem.
, vol.567
, pp. 7-11
-
-
Crabtree, R.H.1
Eisenstein, O.2
Sini, G.3
Peris, E.4
-
52
-
-
78649237279
-
-
Kokalj A., Peljhan S., Finšgar M., Milošev I. J. Am. Chem. Soc. 2010, 132:16657-16668.
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 16657-16668
-
-
Kokalj, A.1
Peljhan, S.2
Finšgar, M.3
Milošev, I.4
-
57
-
-
32044447267
-
-
Loo B.H., Tse Y., Parsons K., Adelman C., El-Hage A., Lee Y.G. J. Raman Spectrosc. 2006, 37:299-304.
-
(2006)
J. Raman Spectrosc.
, vol.37
, pp. 299-304
-
-
Loo, B.H.1
Tse, Y.2
Parsons, K.3
Adelman, C.4
El-Hage, A.5
Lee, Y.G.6
-
58
-
-
0023090350
-
-
Musiani M.M., Mengoli G., Fleischmann M., Lowry R.B. J. Electroanal. Chem. 1987, 217:187-202.
-
(1987)
J. Electroanal. Chem.
, vol.217
, pp. 187-202
-
-
Musiani, M.M.1
Mengoli, G.2
Fleischmann, M.3
Lowry, R.B.4
-
60
-
-
0026404184
-
-
Brunoro G., Parmigiani F., Perboni G., Rocchini G., Trabanelli G. Br. Corros. J. 1992, 27:75-79.
-
(1992)
Br. Corros. J.
, vol.27
, pp. 75-79
-
-
Brunoro, G.1
Parmigiani, F.2
Perboni, G.3
Rocchini, G.4
Trabanelli, G.5
-
61
-
-
0031188528
-
-
Tommesani L., Brunoro G., Frignani A., Monticelli C., Colle M.D. Corros. Sci. 1997, 39:1221-1237.
-
(1997)
Corros. Sci.
, vol.39
, pp. 1221-1237
-
-
Tommesani, L.1
Brunoro, G.2
Frignani, A.3
Monticelli, C.4
Colle, M.D.5
-
62
-
-
33947320848
-
-
Hansen L.D., West B.D., Baca E.J., Blank C.L. J. Am. Chem. Soc. 1968, 90:6588-6592.
-
(1968)
J. Am. Chem. Soc.
, vol.90
, pp. 6588-6592
-
-
Hansen, L.D.1
West, B.D.2
Baca, E.J.3
Blank, C.L.4
-
63
-
-
0024305190
-
-
Törnkvist C., Thierry D., Bergman J., Liedberg B., Leygraf C. J. Electrochem. Soc. 1989, 136:58-64.
-
(1989)
J. Electrochem. Soc.
, vol.136
, pp. 58-64
-
-
Törnkvist, C.1
Thierry, D.2
Bergman, J.3
Liedberg, B.4
Leygraf, C.5
-
67
-
-
0038238408
-
-
Yu P., Liao D.M., Luo Y.B., Chen Z.G. Corrosion 2003, 59:314-318.
-
(2003)
Corrosion
, vol.59
, pp. 314-318
-
-
Yu, P.1
Liao, D.M.2
Luo, Y.B.3
Chen, Z.G.4
-
70
-
-
84862749542
-
-
Liu P., Fang X., Tang Y., Sun C., Yao C. Mater. Sci. Appl. 2011, 2:1268-1278.
-
(2011)
Mater. Sci. Appl.
, vol.2
, pp. 1268-1278
-
-
Liu, P.1
Fang, X.2
Tang, Y.3
Sun, C.4
Yao, C.5
|