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1.888 Hits
1.
Electronic Article

Crystal field parameters at the (0001) surface of rare-earth metals: an ab initio study

for Journal of Physics: Condensed Matter | Vol. 17, No. 13 (2005), p. 2061-2072
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2.
Electronic Article

Effect of puckering motion and hydrogen bond formation on the vibrational circular dichroism spectrum of a flexible molecule: the case of (S)-1-indanol

for PCCP. Physical Chemistry Chemical Physics - An International Journal | Vol. 20, No. 21 (2018), p. 14635-14646
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3.
Electronic Article

Van der Waals interactions and the properties of graphite and 2H-, 3R- and 1T-MoS2: A comparative study

for Computational Materials Science | Vol. 152 (2018), p. 146-150
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5.
Electronic Article

First-principles study of high-capacity hydrogen storage on graphene with Li atoms

for Journal of Physics and Chemistry of Solids | Vol. 73, No. 2 (2012), p. 245-251
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6.
Electronic Article

Raman spectrum of oxyorthosilicate Lu2SiO5: Ab initio calculation

for Journal of Raman Spectroscopy | Vol. 49, No. 5 (2018), p. 872-877
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7.
Electronic Article

Energetics, electric-field gradients and optical properties of YH3 (YD3) by first-principles calculations

for Journal of Alloys and Compounds | Vol. 356-357 (2003), p. 73-79
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8.
Electronic Article

Geometrical and electronic structures of beta -FeSi1.875X0.125 (X = B, N, Al or P)

for Japanese Journal of Applied Physics | Vol. 41, No. 11A (2002), p. 6426-6429
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9.
Electronic Article

Ab initio study of 3C inclusions and stacking fault-stacking fault interactions in 6H-SiC

for Journal of Applied Physics | Vol. 94, No. 8 (2003), p. 4972-4979
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