Turkish Computational and Theoretical Chemistry
Latest Publications

TOTAL DOCUMENTS

(FIVE YEARS 27)

H-INDEX

(FIVE YEARS 1)

Published By Turkish Computational And Theoretical Chemistry

2587-1722

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

The theoretical study of anticancer rhodium complexes and methyl groups effect on ligands in chemical reactivity, global descriptors, ADMET by DFT study

Turkish Computational and Theoretical Chemistry ◽

10.33435/tcandtc.843770 ◽

2021 ◽

Vol 5 (2) ◽

pp. 1-13

Author(s):

Mohammad Jahidul ISLAM ◽

Ajoy KUMER ◽

Md Wahab KHAN

Keyword(s):

Theoretical Study ◽

Chemical Reactivity ◽

Dft Study ◽

Methyl Groups ◽

Rhodium Complexes

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DFT/TDDFT studies of the structural, electronic, NBO and non-linear optical proper-ties of triphenylamine functionalized tetrathiafulvalene

Turkish Computational and Theoretical Chemistry ◽

10.33435/tcandtc.926405 ◽

2021 ◽

Vol 5 (2) ◽

pp. 24-34

Author(s):

Mohammed BOUACHRINE ◽

Ahmed AZAID ◽

Tayeb ABRAM ◽

Rchid KACİMİ ◽

Marzouk RAFTANI ◽

...

Keyword(s):

Non Linear ◽

Linear Optical

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Study of dipolar 1.3 cycloaddition reaction by DFT method, as well as study of antibacterial activity of two isomers 1.4 and 1.5 on two therapeutic targets E. coli and Helicobacter pylori, by molecular docking

Turkish Computational and Theoretical Chemistry ◽

10.33435/tcandtc.1020278 ◽

2021 ◽

Author(s):

Mohammed Aziz AJANA ◽

Abdessadak OUMAYMA ◽

Halima HAJJI ◽

Yassıne KOUBI ◽

Tahar LAKHLIFI ◽

...

Keyword(s):

Helicobacter Pylori ◽

Antibacterial Activity ◽

Molecular Docking ◽

Cycloaddition Reaction ◽

Therapeutic Targets ◽

Dft Method ◽

E Coli

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Methyl-mercaptane adsorption and sensing on Fe-/Co-graphene structures: A DFT study

Turkish Computational and Theoretical Chemistry ◽

10.33435/tcandtc.1018412 ◽

2021 ◽

Author(s):

Numan YUKSEL ◽

Ahmet KOSE ◽

Mehmet Ferdi FELLAH

Keyword(s):

Dft Study ◽

Graphene Structures

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2-Phenylethyne-1-Sulfonamide Derivatives as New Drugs Candidates for Heat Shock Protein 70 and Doublecortin-like Kinase

Turkish Computational and Theoretical Chemistry ◽

10.33435/tcandtc.814554 ◽

2021 ◽

Vol 5 (1) ◽

pp. 1-12

Author(s):

Mustafa ERGÜL ◽

Koray SAYIN ◽

Hilmi ATASEVEN

Keyword(s):

Heat Shock ◽

Heat Shock Protein ◽

Heat Shock Protein 70 ◽

New Drugs

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2-Acetyl-5-chloro-thiophene thiosemicarbazone and its nickel(II) and zinc(II) complexes: Hirshfeld surface analysis and Density Functional Theory calculations for molecular geometry, vibrational spectra and HOMO-LUMO studies

Turkish Computational and Theoretical Chemistry ◽

10.33435/tcandtc.843329 ◽

2021 ◽

Vol 5 (1) ◽

pp. 27-38

Author(s):

Betül ŞEN

Keyword(s):

Density Functional Theory ◽

Surface Analysis ◽

Vibrational Spectra ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Molecular Geometry ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Functional Theory ◽

Homo Lumo

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Examination of anti-oxidant properties and molecular docking parameters of some compounds in human body

Turkish Computational and Theoretical Chemistry ◽

10.33435/tcandtc.781008 ◽

2020 ◽

Vol 4 (2) ◽

pp. 76-87

Author(s):

Burak TÜZÜN

Keyword(s):

Molecular Docking ◽

Human Body ◽

Anti Oxidant

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Structural Parameters, Electronic, Spectroscopic and Nonlinear Optical Theoretical Research of 1-(m-Chlorophenyl)piperazine (mCPP) Molecule

Turkish Computational and Theoretical Chemistry ◽

10.33435/tcandtc.811494 ◽

2020 ◽

Vol 4 (2) ◽

pp. 88-97

Author(s):

Yavuz EKİNCİOĞLU ◽

Hamdi Şükür KILIÇ ◽

Ömer DERELİ

Keyword(s):

Nonlinear Optical ◽

Structural Parameters ◽

Theoretical Research

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In Silico study for investigating and predicting the activities of 7-Hydroxy-1,3-dioxo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carboxylate Derivatives as Potent Anti-HIV Agents

Turkish Computational and Theoretical Chemistry ◽

10.33435/tcandtc.624156 ◽

2020 ◽

Vol 4 (2) ◽

pp. 49-58

Author(s):

Ahanonu SAVİOUR ◽

Gideon Adamu SHALLANGWA ◽

Adamu UZAİRU

Keyword(s):

In Silico ◽

In Silico Study ◽

Anti Hiv Agents ◽

Anti Hiv

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An Optimization and Pharmacokinetic Studies of some Thymidine Derivatives

Turkish Computational and Theoretical Chemistry ◽

10.33435/tcandtc.718807 ◽

2020 ◽

Vol 4 (2) ◽

pp. 59-66

Author(s):

Sarkar M. A. KAWSAR ◽

Mohammed Anowar HOSSAİN

Keyword(s):

Pharmacokinetic Studies

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Turkish Computational and Theoretical ChemistryLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Turkish Computational And Theoretical Chemistry

The theoretical study of anticancer rhodium complexes and methyl groups effect on ligands in chemical reactivity, global descriptors, ADMET by DFT study

DFT/TDDFT studies of the structural, electronic, NBO and non-linear optical proper-ties of triphenylamine functionalized tetrathiafulvalene

Study of dipolar 1.3 cycloaddition reaction by DFT method, as well as study of antibacterial activity of two isomers 1.4 and 1.5 on two therapeutic targets E. coli and Helicobacter pylori, by molecular docking

Methyl-mercaptane adsorption and sensing on Fe-/Co-graphene structures: A DFT study

2-Phenylethyne-1-Sulfonamide Derivatives as New Drugs Candidates for Heat Shock Protein 70 and Doublecortin-like Kinase

2-Acetyl-5-chloro-thiophene thiosemicarbazone and its nickel(II) and zinc(II) complexes: Hirshfeld surface analysis and Density Functional Theory calculations for molecular geometry, vibrational spectra and HOMO-LUMO studies

Examination of anti-oxidant properties and molecular docking parameters of some compounds in human body

Structural Parameters, Electronic, Spectroscopic and Nonlinear Optical Theoretical Research of 1-(m-Chlorophenyl)piperazine (mCPP) Molecule

In Silico study for investigating and predicting the activities of 7-Hydroxy-1,3-dioxo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carboxylate Derivatives as Potent Anti-HIV Agents

An Optimization and Pharmacokinetic Studies of some Thymidine Derivatives

Turkish Computational and Theoretical Chemistry
Latest Publications