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Research article

First published 2020-7

Quantum theory of atoms in molecules,electron localization function,and localized-orbital locator investigations on trans -(NHC)PtI 2 ( para -NC 5 H 4 X) complexes

Sarvin Hossien Saraf, Reza Ghiasi

Journal of Chemical Research

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Research article

First published 2020

An electron localization function analysis of the molecular mechanism and the C–O bond formation in the [3+2] cycloaddition reaction involving zwitterionic type between a nitrone and an electron deficient ethyne

Abdelilah Benallou, Habib El Alaoui El Abdallaoui, Hocine Garmes

Progress in Reaction Kinetics and Mechanism

Open access

Research article

First published 2021-5

Substituent effects on the structure and properties of ( para -C 5 H 4 X)Ir(PH 3 ) 3 complexes in the ground state (S 0 ) and first singlet excited state (S 1 ): DFT and TD-DFT investigations

Gholamreza Ghane Shalmani, Reza Ghiasi, Azam Marjani

Journal of Chemical Research

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Research article

First published 2017-2

On the electron density localization in HF cyclic clusters

Luis E. Seijas, Angel Lunar, Luis Rincón [...]

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2017-7

Three-dimensional analysis for functionally graded piezoelectric semiconductors

Hubert Hsueh-Hsien Lu, DL Young, Jan Sladek [...]

Journal of Intelligent Material Systems and Structures

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Research article

First published 1993-03

Contrasts in Ownership and Development: Local versus Global in 'Silicon Glen'

Ivan Turok

Urban Studies

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Other

First published 2003-02

Emerging Electronic Infrastructures

ÅKe GrÖNlund

Social Science Computer Review

Open access

Research article

First published 2022-9

Formation of electrostatic solitary and periodic waves in dusty plasmas in the light of Voyager 1 and 2 spacecraft and Freja satellite observations

Muhammad Shohaib, Waqas Masood, Mohsin Siddiq [...]

Journal of Low Frequency Noise,Vibration and Active Control

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Research article

First published 2007-9

Density functional study of the structural and electronic properties of aluminium-lithium clusters

J.I. Martínez, A. Castro, J.A. Alonso

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 1990-09

Quantum Molecular Dynamics: a New Algorithm for Linear and Nonlinear Electron Transport in Disordered Materials

Rajiv K. Kalia, Priya Vashishta, Lin H. Yang [...]

The International Journal of High Performance Computing Applications

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