Termination, stability and electronic structures of α-Al2O3 (<mml:math altimg="si15.gif" overflow="scroll" xmlns:xocs="http://www.elsevier.com/xml/xocs/dtd" xmlns:xs="http://www.w3.org/2001/XMLSchema" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns="http://www.elsevier.com/xml/ja/dtd" xmlns:ja="http://www.elsevier.com/xml/ja/dtd" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:tb="http://www.elsevier.com/xml/common/table/dtd" xmlns:sb="http://www.elsevier.com/xml/common/struct-bib/dtd" xmlns:ce="http://www.elsevier.com/xml/common/dtd" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:cals="http://www.elsevier.com/xml/common/cals/dtd" xmlns:sa="http://www.elsevier.com/xml/common/struct-aff/dtd"><mml:mrow><mml:mn>0</mml:mn><mml:mtext> </mml:mtext><mml:mover accent="true"><mml:mn>1</mml:mn><mml:mo>¯</mml:mo></mml:mover><mml:mtext> </mml:mtext><mml:mn>1</mml:mn><mml:mtext> </mml:mtext><mml:mn>4</mml:mn></mml:mrow></mml:math>) surface: An ab initio study

Crystal and electronic structures of superhard B2CN : An ab initio study

Solid State Communications ◽

10.1016/j.ssc.2011.10.042 ◽

2012 ◽

Vol 152 (2) ◽

pp. 71-75 ◽

Cited By ~ 11

Author(s):

Quan Li ◽

Dan Zhou ◽

Hui Wang ◽

Wanjin Chen ◽

Baojia Wu ◽

...

Keyword(s):

Ab Initio ◽

Electronic Structures ◽

Ab Initio Study

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ChemInform Abstract: GEOMETRIC AND ELECTRONIC STRUCTURES OF METHYLENESULFUR TETRAFLUORIDE, CH2:SF4, THIONYL TETRAFLUORIDE, O:SF4, AND SULFUR TETRAFLUORIDE, SF4: AN AB INITIO STUDY

Chemischer Informationsdienst ◽

10.1002/chin.198001072 ◽

1980 ◽

Vol 11 (1) ◽

Author(s):

H. OBERHAMMER ◽

J. E. BOGGS

Keyword(s):

Ab Initio ◽

Electronic Structures ◽

Ab Initio Study ◽

Sulfur Tetrafluoride

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ChemInform Abstract: GEOMETRIC AND ELECTRONIC STRUCTURES OF CHLORINE- AND FLUORINE-SUBSTITUTED CARBONYL AND THIOCARBONYL COMPOUNDS. AN AB INITIO STUDY

Chemischer Informationsdienst ◽

10.1002/chin.197949064 ◽

1979 ◽

Vol 10 (49) ◽

Author(s):

H. OBERHAMMER ◽

J. E. BOGGS

Keyword(s):

Ab Initio ◽

Electronic Structures ◽

Ab Initio Study

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Ab initio study of the electronic structures of polycyclopentadithiophene-4-one and polydicyanomethylene-cyclopentadithiophene: Two conjugated polymers with small band gaps

Solid State Communications ◽

10.1016/s0038-1098(96)00647-3 ◽

1997 ◽

Vol 101 (5) ◽

pp. 347-350 ◽

Cited By ~ 10

Author(s):

A.K. Bakhshi ◽

Deepika ◽

J. Ladik

Keyword(s):

Conjugated Polymers ◽

Ab Initio ◽

Electronic Structures ◽

Band Gaps ◽

Ab Initio Study ◽

Small Band

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Ab initio study of the electronic structures and conduction properties of some novel low band-gap donor–acceptor polymers

Solid State Communications ◽

10.1016/j.ssc.2003.10.013 ◽

2004 ◽

Vol 129 (5) ◽

pp. 335-340 ◽

Cited By ~ 6

Author(s):

A.K. Bakhshi ◽

Geetika Gandhi

Keyword(s):

Ab Initio ◽

Band Gap ◽

Electronic Structures ◽

Ab Initio Study ◽

Low Band Gap ◽

Donor Acceptor ◽

Conduction Properties

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Effects of uniaxial strains on the magnetic properties and the electronic structures of Fe/graphene system: An ab initio study

Journal of Applied Physics ◽

10.1063/1.3672870 ◽

2012 ◽

Vol 111 (7) ◽

pp. 07C306 ◽

Cited By ~ 4

Author(s):

Heechae Choi ◽

Eung-Kwan Lee ◽

Sung Beom Cho ◽

Yong-Chae Chung

Keyword(s):

Magnetic Properties ◽

Ab Initio ◽

Electronic Structures ◽

Ab Initio Study

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Geometric and electronic structures of methylene sulfurtetrafluoride, CH2SF4, thionyl tetrafluoride, OSF4, and sulfurtetrafluoride, SF4: an ab initio study

Journal of Molecular Structure ◽

10.1016/0022-2860(79)80142-8 ◽

1979 ◽

Vol 56 ◽

pp. 107-116 ◽

Cited By ~ 20

Author(s):

Heinz Oberhammer ◽

James E. Boggs

Keyword(s):

Ab Initio ◽

Electronic Structures ◽

Ab Initio Study

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Ab initio study on the electronic structures of stilbene at the conical intersection

Chemical Physics Letters ◽

10.1016/s0009-2614(99)01042-8 ◽

1999 ◽

Vol 314 (3-4) ◽

pp. 364-368 ◽

Cited By ~ 33

Author(s):

Yoshiaki Amatatsu

Keyword(s):

Ab Initio ◽

Electronic Structures ◽

Conical Intersection ◽

Ab Initio Study

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Ab initio study of electronic structures and absorption properties of pure and Fe3+doped anatase TiO2

Solar Energy Materials and Solar Cells ◽

10.1016/j.solmat.2011.03.048 ◽

2011 ◽

Vol 95 (8) ◽

pp. 2322-2326 ◽

Cited By ~ 13

Author(s):

Qinghe Yu ◽

Lei Jin ◽

Chungen Zhou

Keyword(s):

Ab Initio ◽

Electronic Structures ◽

Anatase Tio2 ◽

Ab Initio Study ◽

Absorption Properties

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Lanthanide-doped LaSi 3 N 5 based phosphors: Ab initio study of electronic structures, band gaps, and energy level locations

Journal of Luminescence ◽

10.1016/j.jlumin.2015.11.033 ◽

2016 ◽

Vol 172 ◽

pp. 83-91 ◽

Cited By ~ 7

Author(s):

Ismail A.M. Ibrahim ◽

Zoltán Lenčéš ◽

Lubomir Benco ◽

Pavol Šajgalík

Keyword(s):

Energy Level ◽

Ab Initio ◽

Electronic Structures ◽

Band Gaps ◽

Ab Initio Study

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Termination, stability and electronic structures of α-Al2O3 (0 1¯ 1 4) surface: An ab initio study

Crystal and electronic structures of superhard B2CN : An ab initio study

ChemInform Abstract: GEOMETRIC AND ELECTRONIC STRUCTURES OF METHYLENESULFUR TETRAFLUORIDE, CH2:SF4, THIONYL TETRAFLUORIDE, O:SF4, AND SULFUR TETRAFLUORIDE, SF4: AN AB INITIO STUDY

ChemInform Abstract: GEOMETRIC AND ELECTRONIC STRUCTURES OF CHLORINE- AND FLUORINE-SUBSTITUTED CARBONYL AND THIOCARBONYL COMPOUNDS. AN AB INITIO STUDY

Ab initio study of the electronic structures of polycyclopentadithiophene-4-one and polydicyanomethylene-cyclopentadithiophene: Two conjugated polymers with small band gaps

Ab initio study of the electronic structures and conduction properties of some novel low band-gap donor–acceptor polymers

Effects of uniaxial strains on the magnetic properties and the electronic structures of Fe/graphene system: An ab initio study

Geometric and electronic structures of methylene sulfurtetrafluoride, CH2SF4, thionyl tetrafluoride, OSF4, and sulfurtetrafluoride, SF4: an ab initio study

Ab initio study on the electronic structures of stilbene at the conical intersection

Ab initio study of electronic structures and absorption properties of pure and Fe3+doped anatase TiO2

Lanthanide-doped LaSi 3 N 5 based phosphors: Ab initio study of electronic structures, band gaps, and energy level locations

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