Display Settings:

Format
Items per page
Sort by

Send to:

Choose Destination

Results: 1 to 20 of 98

1.

Ab initio study of II-(VI)2 dichalcogenides.

Olsson P, Vidal J, Lincot D.

J Phys Condens Matter. 2011 Oct 12;23(40):405801. doi: 10.1088/0953-8984/23/40/405801. Epub 2011 Sep 21.

PMID:
21937783
[PubMed]
2.

Tuning the electronic properties of semiconducting transition metal dichalcogenides by applying mechanical strains.

Johari P, Shenoy VB.

ACS Nano. 2012 Jun 26;6(6):5449-56. doi: 10.1021/nn301320r. Epub 2012 May 31.

PMID:
22591011
[PubMed - indexed for MEDLINE]
3.
4.

Structural and electronic properties of ZrX2)and HfX2 (X=S and Se) from first principles calculations.

Jiang H.

J Chem Phys. 2011 May 28;134(20):204705. doi: 10.1063/1.3594205.

PMID:
21639465
[PubMed]
5.

Electronic structure and linear optical properties of ZnSe and ZnSe:Mn.

Su K, Wang Y.

J Nanosci Nanotechnol. 2010 Mar;10(3):1857-9.

PMID:
20355588
[PubMed]
6.

Ab initio prediction of conduction band spin splitting in zinc blende semiconductors.

Chantis AN, van Schilfgaarde M, Kotani T.

Phys Rev Lett. 2006 Mar 3;96(8):086405. Epub 2006 Mar 2. Erratum in: Phys Rev Lett. 2006 Jul 21;97(3):039903.

PMID:
16606206
[PubMed]
7.

Impressive structural diversity and polymorphism in the modular compounds ABi3Q5 (A = Rb, Cs; Q = S, Se, Te).

Iordanidis L, Bilc D, Mahanti SD, Kanatzidis MG.

J Am Chem Soc. 2003 Nov 12;125(45):13741-52.

PMID:
14599213
[PubMed]
8.

Molecular structures of Se(SCH3)2 and Te(SCH3)2 using gas-phase electron diffraction and ab initio and DFT geometry optimisations.

Fleischer H, Wann DA, Hinchley SL, Borisenko KB, Lewis JR, Mawhorter RJ, Robertson HE, Rankin DW.

Dalton Trans. 2005 Oct 7;(19):3221-8. Epub 2005 Aug 24.

PMID:
16172648
[PubMed - indexed for MEDLINE]
9.

Quasiparticle semiconductor band structures including spin-orbit interactions.

Malone BD, Cohen ML.

J Phys Condens Matter. 2013 Mar 13;25(10):105503. doi: 10.1088/0953-8984/25/10/105503. Epub 2013 Feb 8.

PMID:
23396813
[PubMed]
10.

Spin-polarized structural, electronic, and magnetic properties of diluted magnetic semiconductors Cd(1-x)Mn(x)S and Cd(1-x)Mn(x)Se in zinc blende phase.

Nazir S, Ikram N, Tanveer M, Shaukat A, Saeed Y, Reshak AH.

J Phys Chem A. 2009 May 21;113(20):6022-7. doi: 10.1021/jp900698q.

PMID:
19438272
[PubMed - indexed for MEDLINE]
11.
12.

Interaction of localized electronic states with the conduction band: band anticrossing in II-VI semiconductor ternaries

Walukiewicz W, Shan W, Yu KM, Ager JW 3rd, Haller EE, Miotkowski I I, Seong MJ, Alawadhi H, Ramdas AK.

Phys Rev Lett. 2000 Aug 14;85(7):1552-5.

PMID:
10970552
[PubMed - as supplied by publisher]
13.

Semiconducting layered technetium dichalcogenides: insights from first-principles.

Weck PF, Kim E, Czerwinski KR.

Dalton Trans. 2013 Nov 21;42(43):15288-95. doi: 10.1039/c3dt51903a.

PMID:
24030159
[PubMed]
14.

Novel approach to tuning the physical properties of organic-inorganic hybrid semiconductors.

Zhang Y, Dalpian GM, Fluegel B, Wei SH, Mascarenhas A, Huang XY, Li J, Wang LW.

Phys Rev Lett. 2006 Jan 20;96(2):026405. Epub 2006 Jan 20.

PMID:
16486607
[PubMed]
15.

Quantum chemistry of the minimal CdSe clusters.

Yang P, Tretiak S, Masunov AE, Ivanov S.

J Chem Phys. 2008 Aug 21;129(7):074709. doi: 10.1063/1.2965532.

PMID:
19044794
[PubMed - indexed for MEDLINE]
16.

From 1D chain to 3D network: tuning hybrid II-VI nanostructures and their optical properties.

Huang X, Li J, Zhang Y, Mascarenhas A.

J Am Chem Soc. 2003 Jun 11;125(23):7049-55.

PMID:
12783559
[PubMed]
17.

First-principles calculations of structural, elastic, electronic, and optical properties of perovskite-type KMgH3 crystals: novel hydrogen storage material.

Reshak AH, Shalaginov MY, Saeed Y, Kityk IV, Auluck S.

J Phys Chem B. 2011 Mar 31;115(12):2836-41. doi: 10.1021/jp111382h. Epub 2011 Mar 4.

PMID:
21375346
[PubMed - indexed for MEDLINE]
18.

Probing the electronic and optical properties of silica-coated quantum dots with first-principles calculations.

Dong C, Li X, Qi J.

Phys Chem Chem Phys. 2011 Aug 28;13(32):14476-80. doi: 10.1039/c1cp21030k. Epub 2011 Jul 8.

PMID:
21738942
[PubMed - indexed for MEDLINE]
19.

Silicon and Germanium Nanostructures for Photovoltaic Applications: Ab-Initio Results.

Ossicini S, Amato M, Guerra R, Palummo M, Pulci O.

Nanoscale Res Lett. 2010 Jul 18;5(10):1637-1649.

PMID:
21076696
[PubMed]
Free PMC Article
20.

Ab initio and molecular dynamics studies of crystalline TNAD (trans-1,4,5,8-tetranitro-1,4,5,8-tetraazadecalin).

Qiu L, Xiao HM, Zhu WH, Xiao JJ, Zhu W.

J Phys Chem B. 2006 Jun 8;110(22):10651-61.

PMID:
16771311
[PubMed]

Display Settings:

Format
Items per page
Sort by

Send to:

Choose Destination

Supplemental Content

Write to the Help Desk