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Research article

First published 2009-7

Atoms in molecules theory for exploring the crystal structure and bond nature of the MoS 2 bulk

Yosslen Aray, David Vega, Jesus Rodriguez [...]

Journal of Computational Methods in Sciences and Engineering

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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 2012-7

Topological study of charge density in AlTi,AlTi 3 and Al 3 Ti intermetallics

Keily Gutiérrez, Jesús Rodríguez, Yosslen Aray [...]

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2022-07-12

A detailed kinetic study on the tautomerization reactions of barbituric acid: A combined DFT-QTAIM analysis

Narjes Hajali, Afshin Taghva Manesh, Ahmad Seif

Main Group Chemistry

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Research article

First published 2009-7

First-principles study of the nature of small nickel sulfide particles

Yosslen Aray, Alba B. Vidal, David Santiago Coll [...]

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2019-5

Atmospheric reactions of glyoxal with NO 2 and NH 2 radicals: Hydrogen abstraction mechanism and natural bond orbital analysis

Homeira Saghafi, Morteza Vahedpour

Progress in Reaction Kinetics and Mechanism

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Research article

First published 2017-2

Theoretical Study of the Kinetics and Mechanism of the Thermal Decomposition of 3-Oxetanone in the Gas Phase

Mohammad Khavani, Javad Karimi

Progress in Reaction Kinetics and Mechanism

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Research article

First published 1992-5

Estimating Detection Limits in Ultratrace Analysis. Part III: Monitoring Atoms and Molecules with Laser-Induced Fluorescence

Stopher L. Stevenson, James D. Winefordner

Applied Spectroscopy

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Research article

First published 2024-3

Density functional theory study of dissociative adsorption of H 2 molecules on NiTi (001) surfaces

Rizal Arifin, Ali Selamat, Retno Asih [...]

Proceedings of the Institution of Mechanical Engineers,Part N: Journal of Nanomaterials,Nanoengineering and Nanosystems

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Research article

First published 1992-3

Estimating Detection Limits in Ultratrace Analysis. Part II: Detecting and Counting Atoms and Molecules

Christopher L. Stevenson, James D. Winefordner

Applied Spectroscopy

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