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Journal Article
Industrial & Engineering Chemistry Research, ISSN 0888-5885, 01/2017, Volume 56, Issue 1, pp. 47 - 51
.... In this work, two quantitative structure–property relationship (QSPR) models were built based on existing experimental data and molecular simulations through analysis of multiple linear regression (MLR... 
ENGINEERING, CHEMICAL | SUPPORT VECTOR MACHINES | ORBITAL METHODS
Journal Article
Reports on Progress in Physics, ISSN 0034-4885, 03/2012, Volume 75, Issue 3, pp. 036503 - 43
Journal Article
Physical review letters, ISSN 1079-7114, 2003, Volume 90, Issue 13, p. 133901/4
.... Measurements of optical vortices created with the dynamic holographic optical tweezer technique reveal an unsuspected dependence of their structure and angular momentum flux on their helicity... 
ORBITAL ANGULAR-MOMENTUM | TWEEZERS | LIGHT-BEAM | GAUSSIAN LASER MODES | PARTICLES | PHYSICS, MULTIDISCIPLINARY
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 03/2010, Volume 132, Issue 11, pp. 110902 - 110902-7
Journal Article
Journal of physics. D, Applied physics, ISSN 1361-6463, 2015, Volume 48, Issue 43, pp. 435104 - 435113
We study the evolution of the structural and electronic properties of crystalline indium gallium zinc oxide (IGZO) upon amorphization by first-principles... 
strain | IGZO | amorphous | first principles | electronic structure | crystalline | tail states | TRANSPORT | PHYSICS, APPLIED | Oxygen | Gallium | Orbitals | Semiconductors | Amorphous semiconductors | Amorphous materials | Crystal structure | Strain
Journal Article
Journal of Radioanalytical and Nuclear Chemistry, ISSN 0236-5731, 3/2017, Volume 311, Issue 3, pp. 1565 - 1575
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 09/2013, Volume 19, Issue 38, pp. 12892 - 12905
Journal Article
Applied Surface Science, ISSN 0169-4332, 12/2015, Volume 357, pp. 2364 - 2371
....•The contribution of Bi 6s orbitals to electronic structures can be continuously tuned.•The high photocatalytic activity should originate from the good band dispersions. A series of (Bi2−δYδ... 
Electronic structures | Solid solution | Dispersed band | Bi2Sn2O7 | Photocatalysis | PHYSICS, CONDENSED MATTER | Y2SN2O7 NANOCRYSTALS | PHYSICS, APPLIED | OXIDE | CHEMISTRY, PHYSICAL | PYROCHLORES | TOTAL-ENERGY CALCULATIONS | NANOCOMPOSITES | TEMPERATURE | DEGRADATION | MATERIALS SCIENCE, COATINGS & FILMS | VISIBLE-LIGHT IRRADIATION | WAVE BASIS-SET | Orbitals | Electronic structure | Solid solutions | Lattices | Dispersions | Valence band | Conduction band
Journal Article
The European Physical Journal A, ISSN 1434-6001, 6/2016, Volume 52, Issue 6, pp. 1 - 16
Journal Article