International Journal of Computational and Theoretical Chemistry

The Motion of Ions Confined in a Molecular Channel

International Journal of Computational and Theoretical Chemistry ◽

10.11648/j.ijctc.20210901.12 ◽

2021 ◽

Vol 9 (1) ◽

pp. 7

Author(s):

David Antony Morton-Blake

Keyword(s):

Molecular Channel

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Analysis of the Stabilizing Interactions and Thermodynamic Studies in Aluminum-Transition Metal Alloys (Ti, Sc, Mn, Fe) Using Solid-State Electron Density

International Journal of Computational and Theoretical Chemistry ◽

10.11648/j.ijctc.20210901.11 ◽

2021 ◽

Vol 9 (1) ◽

pp. 1

Author(s):

James Tembei Titah ◽

Coulibaly Wacothon Karime ◽

Josh McLoud

Keyword(s):

Solid State ◽

Transition Metal ◽

Electron Density ◽

Metal Alloys ◽

Solid State Electron ◽

Thermodynamic Studies ◽

Transition Metal Alloys ◽

State Electron

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Effect of Substituents on Electronic Structure and Photophysical Properties of Re(I)(CO)3Cl(R-2, 2’-Bipyridine) Complex: DFT/TDDFT Study

International Journal of Computational and Theoretical Chemistry ◽

10.11648/j.ijctc.20200802.11 ◽

2020 ◽

Vol 8 (2) ◽

pp. 27

Author(s):

Dereje Fedasa ◽

Dunkana Negussa ◽

Alemu Talema

Keyword(s):

Electronic Structure ◽

Photophysical Properties ◽

Effect Of Substituents

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Copper Oxide Nanoparticles: Reactive Oxygen Species Generation and Biomedical Applications

International Journal of Computational and Theoretical Chemistry ◽

10.11648/j.ijctc.20200802.12 ◽

2020 ◽

Vol 8 (2) ◽

pp. 40

Author(s):

Sadaf Sarfraz ◽

Akmal Javed ◽

Shahzad Sharif Mughal ◽

Muzammil Bashir ◽

Abdul Rehman ◽

...

Keyword(s):

Reactive Oxygen Species ◽

Copper Oxide ◽

Biomedical Applications ◽

Reactive Oxygen Species Generation ◽

Reactive Oxygen ◽

Copper Oxide Nanoparticles ◽

Oxide Nanoparticles ◽

Oxygen Species

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Acceptor/Donor End Capped Phenylene-Thiophene Co-oligomers Toward Efficiencies Organic Electronic Devices

International Journal of Computational and Theoretical Chemistry ◽

10.11648/j.ijctc.20200801.11 ◽

2020 ◽

Vol 8 (1) ◽

pp. 1

Author(s):

Abdelkader Hlel ◽

Saber Ghomrasni ◽

Walid Taouali ◽

Kamel Alimi

Keyword(s):

Electronic Devices ◽

Organic Electronic Devices ◽

Organic Electronic

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Molecular Dynamics Simulation of Human Pancreatic Lipase and Lipase-colipase Complex: Insight into the Structural Fluctuations and Conformational Changes

International Journal of Computational and Theoretical Chemistry ◽

10.11648/j.ijctc.20200801.13 ◽

2020 ◽

Vol 8 (1) ◽

pp. 19

Author(s):

Sikiru Akinyeye Ahmed ◽

Nizakat Ali ◽

Urooj Qureshi ◽

Ruqaiya Khalil ◽

Zaheer-Ul Haq Qasmi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Conformational Changes ◽

Pancreatic Lipase ◽

Dynamics Simulation ◽

Structural Fluctuations ◽

Insight Into

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Importance of Hydride-Hydride Interaction in the Stabilization of LiH, NaH, KH, LiAlH4, NaAlH4, and Li3AlH6 as Solid-State Systems for Hydrogen Storage

International Journal of Computational and Theoretical Chemistry ◽

10.11648/j.ijctc.20200801.12 ◽

2020 ◽

Vol 8 (1) ◽

pp. 11

Author(s):

James Tembei Titah ◽

Franklin Che Ngwa ◽

Mamadou Guy-Richard Kone

Keyword(s):

Solid State ◽

Hydrogen Storage

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Topological Analysis of the Electron Density Illustrating the Stabilizing Interactions in Some Basic Solid-state Systems

International Journal of Computational and Theoretical Chemistry ◽

10.11648/j.ijctc.20190702.12 ◽

2019 ◽

Vol 7 (2) ◽

pp. 115 ◽

Cited By ~ 1

Author(s):

James Tembei Titah ◽

Franklin Che Ngwa ◽

Peter Sirsch ◽

Coulibaly Wacothon Karime ◽

Mamadou Guy-Richard Kone

Keyword(s):

Solid State ◽

Electron Density ◽

Topological Analysis

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Theoretical Study of Tautomeric Equilibrium, the Stability, Polarizability, HOMO-LUMO Analysis and Acidity of 4,4-diméthyl-3,4-dihydroquinolin-2(1H)-one Derivatives

International Journal of Computational and Theoretical Chemistry ◽

10.11648/j.ijctc.20190702.11 ◽

2019 ◽

Vol 7 (2) ◽

pp. 107

Author(s):

Lucie Affoue Bede ◽

Benjamine Amon Assoma ◽

Latyfatou Laye Alao ◽

Denis Kicho Yapo ◽

Soleymane Kone

Keyword(s):

Theoretical Study ◽

Tautomeric Equilibrium ◽

The Stability ◽

Homo Lumo

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Synthesis and Characterization of Zn (II) and Mo (VI) Complexes of Schiff Base Derived from 2-Hydroxy-4-Methoxyacetophenone

International Journal of Computational and Theoretical Chemistry ◽

10.11648/j.ijctc.20190701.21 ◽

2019 ◽

Vol 7 (1) ◽

pp. 100 ◽

Cited By ~ 1

Author(s):

Hadiza Usman Abdullahi ◽

Nuhu Abdullahi Mukhtar ◽

Garba Yusuf Ali ◽

Adamu Nadabo Panda

Keyword(s):

Schiff Base ◽

Synthesis And Characterization

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International Journal of Computational and Theoretical Chemistry
Latest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Science Publishing Group

The Motion of Ions Confined in a Molecular Channel

Analysis of the Stabilizing Interactions and Thermodynamic Studies in Aluminum-Transition Metal Alloys (Ti, Sc, Mn, Fe) Using Solid-State Electron Density

Effect of Substituents on Electronic Structure and Photophysical Properties of Re(I)(CO)<sub>3</sub>Cl(R-2, 2’-Bipyridine) Complex: DFT/TDDFT Study

Copper Oxide Nanoparticles: Reactive Oxygen Species Generation and Biomedical Applications

Acceptor/Donor End Capped Phenylene-Thiophene Co-oligomers Toward Efficiencies Organic Electronic Devices

Molecular Dynamics Simulation of Human Pancreatic Lipase and Lipase-colipase Complex: Insight into the Structural Fluctuations and Conformational Changes

Importance of Hydride-Hydride Interaction in the Stabilization of LiH, NaH, KH, LiAlH<sub>4</sub>, NaAlH<sub>4</sub>, and Li<sub>3</sub>AlH<sub>6</sub> as Solid-State Systems for Hydrogen Storage

Topological Analysis of the Electron Density Illustrating the Stabilizing Interactions in Some Basic Solid-state Systems

Theoretical Study of Tautomeric Equilibrium, the Stability, Polarizability, HOMO-LUMO Analysis and Acidity of 4,4-diméthyl-3,4-dihydroquinolin-2(1H)-one Derivatives

Synthesis and Characterization of Zn (II) and Mo (VI) Complexes of Schiff Base Derived from 2-Hydroxy-4-Methoxyacetophenone

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International Journal of Computational and Theoretical ChemistryLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Science Publishing Group

The Motion of Ions Confined in a Molecular Channel

Analysis of the Stabilizing Interactions and Thermodynamic Studies in Aluminum-Transition Metal Alloys (Ti, Sc, Mn, Fe) Using Solid-State Electron Density

Effect of Substituents on Electronic Structure and Photophysical Properties of Re(I)(CO)<sub>3</sub>Cl(R-2, 2’-Bipyridine) Complex: DFT/TDDFT Study

Copper Oxide Nanoparticles: Reactive Oxygen Species Generation and Biomedical Applications

Acceptor/Donor End Capped Phenylene-Thiophene Co-oligomers Toward Efficiencies Organic Electronic Devices

Molecular Dynamics Simulation of Human Pancreatic Lipase and Lipase-colipase Complex: Insight into the Structural Fluctuations and Conformational Changes

Importance of Hydride-Hydride Interaction in the Stabilization of LiH, NaH, KH, LiAlH<sub>4</sub>, NaAlH<sub>4</sub>, and Li<sub>3</sub>AlH<sub>6</sub> as Solid-State Systems for Hydrogen Storage

Topological Analysis of the Electron Density Illustrating the Stabilizing Interactions in Some Basic Solid-state Systems

Theoretical Study of Tautomeric Equilibrium, the Stability, Polarizability, HOMO-LUMO Analysis and Acidity of 4,4-diméthyl-3,4-dihydroquinolin-2(1H)-one Derivatives

Synthesis and Characterization of Zn (II) and Mo (VI) Complexes of Schiff Base Derived from 2-Hydroxy-4-Methoxyacetophenone

International Journal of Computational and Theoretical Chemistry
Latest Publications