Search results: Sage Journals

Free accessResearch articleFirst published July, 2020

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

Free accessResearch articleFirst 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 accessResearch articleFirst published May, 2021

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

Restricted accessResearch articleFirst published February, 2017

On the electron density localization in HF cyclic clusters

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

Journal of Computational Methods in Sciences and Engineering

Restricted accessResearch articleFirst published July, 2017

Three-dimensional analysis for functionally graded piezoelectric semiconductors

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

Journal of Intelligent Material Systems and Structures

Restricted accessResearch articleFirst published March, 1993

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

Ivan Turok

Urban Studies

Restricted accessOtherFirst published February, 2003

Emerging Electronic Infrastructures

ÅKe GrÖNlund

Social Science Computer Review

Open accessResearch articleFirst published September, 2022

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

Restricted accessResearch articleFirst published September, 2007

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

Restricted accessResearch articleFirst published September, 1990

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

Free accessResearch articleFirst published July, 2020

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

Free accessResearch articleFirst 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 accessResearch articleFirst published May, 2021

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

Restricted accessResearch articleFirst published February, 2017

On the electron density localization in HF cyclic clusters

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

Journal of Computational Methods in Sciences and Engineering

Restricted accessResearch articleFirst published July, 2017

Three-dimensional analysis for functionally graded piezoelectric semiconductors

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

Journal of Intelligent Material Systems and Structures

Restricted accessResearch articleFirst published March, 1993

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

Ivan Turok

Urban Studies

Restricted accessOtherFirst published February, 2003

Emerging Electronic Infrastructures

ÅKe GrÖNlund

Social Science Computer Review

Open accessResearch articleFirst published September, 2022

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

Restricted accessResearch articleFirst published September, 2007

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

Restricted accessResearch articleFirst published September, 1990

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