Electronic Structures and Properties of Pdn−C60−Pdn Nanocontacts: A Theoretical Investigation

Manoj K. Shukla; Madan Dubey; Eugene Zakar; Jerzy Leszczynski

doi:10.1021/jp900370h

Electronic Structures and Properties of Pdn−C60−Pdn Nanocontacts: A Theoretical Investigation

The Journal of Physical Chemistry C ◽

10.1021/jp900370h ◽

2009 ◽

Vol 113 (26) ◽

pp. 11351-11357 ◽

Cited By ~ 6

Author(s):

Manoj K. Shukla ◽

Madan Dubey ◽

Eugene Zakar ◽

Jerzy Leszczynski

Keyword(s):

Theoretical Investigation ◽

Electronic Structures ◽

Structures And Properties

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Theoretical Investigation of Electronic Structures and Properties of C60−Gold Nanocontacts

ACS Nano ◽

10.1021/nn700080p ◽

2008 ◽

Vol 2 (2) ◽

pp. 227-234 ◽

Cited By ~ 37

Author(s):

Manoj K. Shukla ◽

Madan Dubey ◽

Jerzy Leszczynski

Keyword(s):

Theoretical Investigation ◽

Electronic Structures ◽

Structures And Properties

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Theoretical Investigation of Electronic Structures, Elastic, and Magnetic Properties of Rh2CrGe Full-Heusler Alloy

Acta Physica Polonica A ◽

10.12693/aphyspola.136.454 ◽

2019 ◽

Vol 136 (3) ◽

pp. 454-459

Author(s):

M. Mebrek ◽

A. Mokaddem ◽

F. Bouasria ◽

B. Doumi ◽

A. Mir ◽

...

Keyword(s):

Magnetic Properties ◽

Theoretical Investigation ◽

Electronic Structures ◽

Heusler Alloy ◽

Full Heusler

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Theoretical investigation of electronic structures and excitation energies of doubly N-confused porphyrin and its group 11 transition metal (III) complexes

The Journal of Chemical Physics ◽

10.1063/1.2749513 ◽

2007 ◽

Vol 126 (24) ◽

pp. 245106 ◽

Cited By ~ 8

Author(s):

Yulan Zhu ◽

Shuyu Zhou ◽

Yuhe Kan ◽

Likai Yan ◽

Zhongmin Su

Keyword(s):

Transition Metal ◽

Theoretical Investigation ◽

Electronic Structures ◽

Excitation Energies

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ChemInform Abstract: Phosphorus-Nitrogen Multiple Bonds. Theoretical Investigation of Structure and Bonding in (NH)2PNH2, (NH2)2PN, and the (Cyclic) Dimer P2N6H8(SCF calculations of molecular and electronic structures).

Chemischer Informationsdienst ◽

10.1002/chin.198608004 ◽

1986 ◽

Vol 17 (8) ◽

Author(s):

R. AHLRICHS ◽

H. SCHIFFER

Keyword(s):

Theoretical Investigation ◽

Electronic Structures ◽

Cyclic Dimer ◽

Multiple Bonds ◽

Structure And Bonding ◽

Scf Calculations

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Electronic Structures and Properties in Strongly Correlated Electron Systems: Perovskite-like Titanates

Japanese Journal of Applied Physics ◽

10.7567/jjaps.32s3.209 ◽

1993 ◽

Vol 32 (S3) ◽

pp. 209 ◽

Cited By ~ 1

Author(s):

Yoshinori Tokura

Keyword(s):

Electronic Structures ◽

Strongly Correlated Electron Systems ◽

Strongly Correlated ◽

Electron Systems ◽

Strongly Correlated Electron ◽

Correlated Electron Systems ◽

Correlated Electron ◽

Structures And Properties

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Theoretical investigation on the electronic structures and phosphorescent properties of a series of cyclometalated platinum(II) complexes with different substituted N-heterocyclic carbene ligands

Molecular Crystals and Liquid Crystals ◽

10.1080/15421406.2015.1069447 ◽

2016 ◽

Vol 625 (1) ◽

pp. 202-211 ◽

Cited By ~ 2

Author(s):

Deming Han ◽

Xiuxia He ◽

Lihui Zhao ◽

Chunying Pang ◽

Yuanhua Yu ◽

...

Keyword(s):

Theoretical Investigation ◽

Electronic Structures ◽

Carbene Ligands

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Structural properties, electronic structures and optical properties of WB2 with different structures: A theoretical investigation

Ceramics International ◽

10.1016/j.ceramint.2018.03.203 ◽

2018 ◽

Vol 44 (10) ◽

pp. 11438-11447 ◽

Cited By ~ 31

Author(s):

Dan Liu ◽

Yonghua Duan ◽

Weizong Bao

Keyword(s):

Optical Properties ◽

Structural Properties ◽

Theoretical Investigation ◽

Electronic Structures

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Hybrid density functional study on the electronic structures and properties of P3HT-PbS and P3HT-CdS hybrid interface for photovoltaic applications

Journal of Computational Chemistry ◽

10.1002/jcc.25378 ◽

2018 ◽

Vol 39 (24) ◽

pp. 1990-1999

Author(s):

Thao P. Nguyen ◽

Ji Hoon Shim

Keyword(s):

Electronic Structures ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Structures And Properties ◽

Photovoltaic Applications ◽

Hybrid Interface ◽

Hybrid Density Functional

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Electronic Structures and Properties of RE12Ga4Sb23(RE = La−Nd, Sm) and Superconducting La13Ga8Sb21

Chemistry of Materials ◽

10.1021/cm0014132 ◽

2001 ◽

Vol 13 (5) ◽

pp. 1778-1788 ◽

Cited By ~ 15

Author(s):

Allison M. Mills ◽

Laura Deakin ◽

Arthur Mar

Keyword(s):

Electronic Structures ◽

Structures And Properties

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Theoretical study on the electronic structures and properties of diindolocarbazole isomers

Journal of Physical Organic Chemistry ◽

10.1002/poc.3384 ◽

2014 ◽

Vol 27 (12) ◽

pp. 973-980 ◽

Cited By ~ 5

Author(s):

Xi Chen ◽

Chui-Peng Kong ◽

Fu-Quan Bai ◽

Hong-Xing Zhang

Keyword(s):

Electronic Structures ◽

Theoretical Study ◽

Structures And Properties

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