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Research Article
  • dott image May-2018

Charge density and Electrical Characteristics of 1,2-di([1,1-biphenyl]-4-yl)ethyne (DBPE) Molecular Nanowire by Quantum Chemical Study

Journal : Journal of Computational and Theoretical Nanoscience

Research Article
  • dott image May-2018

A QTAIM approach on poly tetrahydrothiophene molecular wire

Journal : Boson Journal of Modern Physics (BJMP)

  • dott image January-1970

The electrical conductivity of methylene-methyliminomethyl formamidine molecular nano wire via DFT and QTAIM theory

Journal : Journal of Theoretical and computational Chemistry

  • dott image January-1970

Structural, Bond topological and HOMO-LUMO analysis of 4-Styryltriphenylamine molecule (Blue-OLED) via DFT studies

Journal : Boson Journal of Modern Physics

  • dott image January-1970

Theoretical studies on Highly Efficient Quinacridone molecule: A Green OLEDs
Research Article
  • dott image May-2014

Electronic structure, effect of metal electrodes and transport properties of 2,5-diphenylthiophene molecular nanowire under applied electric field

Journal : Int J Chem Natur Sci.

Research Article
  • dott image May-2014

Structural, Electrostatic and Transport properties of tetracene under applied electric field using quantum chemical calculations

Journal : Elixir. Appl. Chem.

Research Article
  • dott image September-2014

Density functional analysis of (E)Penta-1,3-diene under external electric field using gold electrodes

Journal : International Journal for Research in Applied Science and Engineering Technology, (IJRASET)

Research Article
  • dott image May-2014

Atomic Charges, Molecular Orbital Analysis and Effect of Metal Electrodes on 1, 2-di (biphenyl-4-yl) Ethyne Molecular Nanowire by Quantum Chemical Calculations

Journal : International Journal of Science and Research (IJSR)

Research Article
  • dott image February-2014

Electrostatic and Transport Properties of Au Substituted 2,2-Bipyrazine Molecular Nanowire by Computational Study

Journal : Journal of NanoScience and Nano Technology