Zobrazeno 1 - 10 of 18 pro vyhledávání: '"Güventürk Uğurlu"'
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Akademický článek
Crystal structure of bis(μ-3-nitrobenzoato)-κ3O,O′:O;κ3O:O,O′-bis[bis(3-cyanopyridine-κN1)(3-nitrobenzoato-κ2O,O′)cadmium]
Autor: Tuncer Hökelek, Nurcan Akduran, Azer Özen, Güventürk Uğurlu, Hacali Necefoğlu
Publikováno v: Acta Crystallographica Section E: Crystallographic Communications, Vol 73, Iss 3, Pp 413-416 (2017)
The asymmetric unit of the title compound, [Cd2(C7H4NO4)4(C6H4N2)4], contains one CdII atom, two 3-nitrobenzoate (NB) anions and two 3-cyanopyridine (CPy) ligands. The two CPy ligands act as monodentate N(pyridine)-bonding ligands, while the two NB a
Externí odkaz: https://doaj.org/article/b2331626c5b14047a8570b1f70f26732
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2
The Quantum Mechanical Computations of the Conformational, Structural, Electronic and Spectroscopic Properties of 3-Cyanophenylboronic Acide
Autor: Güventürk UĞURLU
In the present study, Conformational analysis of 3-cyanophenylboronic acid (3-CyBA) molecule have been carried by calculating potential energy surface (PES) as a function of two dihedral angles, C1-B-O1-H and C1-B-O2-H, using DFT/B3LYP/6-31G (d) leve
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f19769954393025b337f58f56206860e
https://doi.org/10.21203/rs.3.rs-2726152/v1
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5
Conformational and Vibrational Analysis of Chalcone (E)-3-(Furan-2-yl)-1-Phenylprop-2-en-1-one by Density Functional Theory and ab initio Hartree-Fock
Autor: Güventürk UĞURLU
Publikováno v: Volume: 8, Issue: 2 148-164
Caucasian Journal of Science
The potential energy curves (PEC) of 2 Chalcone (E)-3-(Furan-2-yl)-1-Phenylprop-2-en-1-one (1) were calculated as a function dihedral angle φ(C8-C9-C10-O1) at both ab initio Hartree–Fock (HF) and Density Functional Theory (DFT) using the B3LYP fun
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::55907767f4ff1bb33ae31a100b71ad24
https://dergipark.org.tr/tr/pub/cjo/issue/67703/1025061
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6
2-metoksipiridin-3-boronik asitin lineer olmayan özellikleri, konformasyonel, titreşimsel ve elektronik yapısı üzerine substitüent etkisinin kuantum mekanik metodlar ile araştırılması
Autor: Güventürk Uğurlu
Publikováno v: Erzincan Üniversitesi Fen Bilimleri Enstitüsü Dergisi. 12:14-24
Bu çalışmada, 2-metoksipiridin-3-boronik asit (I) ve 6-sübstitüe-2-metoksipiridin-3-boronik asit türevleri; 6- floro-2-metoksipiridin-3-boronik (II) ve 6-kloro-2-metoksipiridin-3- boronik asit (III) moleküllerinin yapısal parametreleri, titre
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d8c09df9e5e7237a0801cb331140721a
https://doi.org/10.18185/erzifbed.416682
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7
(1-naftilmetiliden)izonikotinohidrazid molekülünün yapısal ve elektronik özelliklerinin teorik olarak incelenmesi
Autor: Hacali Necefoğlu, Güventürk Uğurlu
Publikováno v: Volume: 8, Issue: 2 167-177
Journal of the Institute of Science and Technology
In this paper, in order to determine the stable conformers of (1-naphthylmethylidene)isonicotinohydrazide molecule (I), the conformational analysis of the molecule studied was investigated by DensityFunctional Theory (DFT/B3LYP) levels of theory usin
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4e2be95e69dddf5d985fbdcf256d0160
https://doi.org/10.21597/jist.428365
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8
Theoretical Investigation of The Molecular Structure, Conformational and Nonlinear Optical Properties of Picolinic Acid and Its Derivatives
Autor: Güventürk Uğurlu
Publikováno v: Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi. 8:75-83
Bu çalışmada, Pikolinik asit (PAA), pikolinamid (PAA) ve pikolinik asit hidrazid (PAH) moleküllerinin taban(temel) durum geometrik enerjisini, dipol momenti (μ), polarizebilitesi (α) ve hiperpolarizebilitesini (β) belirlemekiçin ab-initio Har
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::04417411ed5c44961e1745ff0da3112c
https://doi.org/10.21597/jist.407838
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9
Crystal structure of bis(μ-3-nitrobenzoato)-κ3O,O′:O;κ3O:O,O′-bis[bis(3-cyanopyridine-κN1)(3-nitrobenzoato-κ2O,O′)cadmium]
Autor: Güventürk Uğurlu, Hacali Necefoğlu, Tuncer Hökelek, Nurcan Akduran, Azer Özen
Publikováno v: Acta Crystallographica Section E: Crystallographic Communications, Vol 73, Iss 3, Pp 413-416 (2017)
The asymmetric unit of the title compound, [Cd2(C7H4NO4)4(C6H4N2)4], contains one CdIIatom, two 3-nitrobenzoate (NB) anions and two 3-cyanopyridine (CPy) ligands. The two CPy ligands act as monodentate N(pyridine)-bonding ligands, while the two NB an
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::25e851cfa40365fd4c9d051c030b048c
http://scripts.iucr.org/cgi-bin/paper?S2056989017002675
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10
Synthesis and Crystallographic, Absorption and Emission Studies of 4-Pyridine Carboxamide of Zn(II) 4-Chlorophenylacetate
Autor: Güventürk Uğurlu, Hacali Necefoğlu, Füreya Elif Özbek, Mustafa Yüksek, Tuncer Hökelek, Mustafa Sertçelik, Ali Murat Tonbul
Publikováno v: Journal of fluorescence. 29(5)
A new zinc(II) complex, [Zn(CB)2(INA)2] (where CB is 4-chlorophenylacetate and INA is 4-pyridine carboxamide) was synthesized. The structure of the complex was characterized by elemental analysis, FT-IR spectroscopy and single-crystal X-ray diffracti
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::635d18a28667536b55664a3dcb1b28a0
https://pubmed.ncbi.nlm.nih.gov/31646413
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