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Yayın Arama

Toplam 24544 kayıt

Toxic potential of Poly-hexamethylene biguanide hydrochloride (PHMB): A DFT, AIM and NCI analysis study with solvent effects
23 23
2022 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Computational and Theoretical Chemistry

Synthesis, Structure, DFT Calculations, and In Silico Toxic Potential of Ni(II), Zn(II), and Fe(II) Complexes with a Tridentate Schiff Base
7 7
2021 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Russian Journal of General Chemistry

Solvent effects on the electronic and optical properties of Ni(II), Zn(II), and Fe(II) complexes of a Schiff base derived from 5-bromo-2-hydroxybenzaldehyde
12 12
2021 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Journal of Chemical Research

New Syntheses of 4NPMA Homopolymer and Its Copolymer with Limonene: Experimental Analysis and Density Functional Theory Study
1 1
2021 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Russian Journal of Physical Chemistry A

A Theoretical Study of Charge-Transfer Properties of a new Material involving Naphthalenyl Unit
0 0
2021 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Journal of Physical Chemistry and Functional Materials

The effect of initial rotation in the N(2D)+H2→NH(3Σ−)+H reaction
6 6
2014 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Chemical Physics

Accurate Time-Dependent Wave Packet Study of the Li + H2+ Reaction and Its Isotopic Variants
0 0
2011 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
The Journal of Physical Chemistry A

Synthesis, characterization, investigation of mesomorphic properties and DFT studies of a new 2,5-(dimethoxy)-2-[[(4-(dodecyloxy)phenyl)imino]methyl]benzene): a material liquid crystal for optoelectronics
7 7
2020 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Journal of Materials Science Materials in Electronics

ACCURATE TIME-DEPENDENT WAVE PACKET STUDY OF THE H++LiH REACTION AT EARLY UNIVERSE CONDITIONS
0 0
2012 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
The Astrophysical Journal

Time Dependent Wave Packet Calculations at State-to-State Level: Li H2 Example
0 0
2012 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
New World Sciences Academy

Quantum Wave Packet Dynamics of the N(2D)H2 Reaction
0 0
2014 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Communications in Computational Chemistry

2-metil-1h-benzimidazol-5-karboksilik asit molekülünün yapısal ve titreşimsel spektrumlarının teorik ve deneysel olarak incelenmesi
0 0
2017 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Sakarya Üniversitesi Fen Bilimleri Enstitüsü Dergisi

A new synthesis of limonene copolymer: experimental and theoretical analysis
9 9
2018 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Polymer Bulletin

Synthesis, characterization, computation of global reactivity descriptors and Antiproliferative Activity of N-(4-nitrophenyl)acrylamide
15 15
2019 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Russian Journal of Physical Chemistry B

The functional states of angular quantum numbers and NeH2 ( v= 0, j = 2) ----NeHH reaction mechanism
1 1
2018 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Canadian Journal of Physics

TD-DFT Study on the Toxicity Prediction of Thiopental Sodium
0 0
2018 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Journal of Physical Chemistry and Functional Materials

Synthesis, experimental and theoretical analysis, and antiproliferative activity of 2-(4-methoxyphenylamino)-2-oxoethyl methacrylate
8 8
2019 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Chinese Journal of Physics

Conformational, Structural, Vibrational, Electronic, and Molecular Docking Studies of 3-Formylphenylboronic Acid and 4-Formylphenylboronic Acid: A Comparative Study
1 1
2020 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Russian Journal of Physical Chemistry A

Electronic, optical and non-linear optical properties of an N-cyclohexylacrylamide molecule: a potential optoelectronic agent
5 5
2020 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Opto Electronics Review

Reactive scattering of an electronically excited nitrogen atom with H2 and its isotopic variants:N(2D)H2/D2/T2
1 1
2016 Özgün Makale SCI/SSCI/AHCI ESCI Scopus
Computational and Theoretical Chemistry