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Showing 10 out of a total of 19 results for collection: WOS İndeksli Yayınlar Koleksiyonu / WOS Indexed Publications Collection.
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Structure-property relationship of 3-(N-phthalimidomethyl)-4-amino-1,2,4-triazole-5-thione: A structural, spectroscopic and DFT study
Tamer, Ömer
;
Moazzam H. Bhatti
;
Uzma Yunus
;
Muhammad Nadeem
;
Avcı, Davut
;
Atalay, Yusuf
;
Azra Yaqub
;
Rumana Quershi
(
ELSEVIER
,
2017
)
Comparison of different hybrid DFT methods on structural, spectroscopic, electronic and NLO parameters for a potential NLO material
Sumeyye Alturk
;
Avcı, Davut
;
Tamer, Ömer
;
Atalay, Yusuf
(
ELSEVIER SCIENCE BV
,
2017
)
Synthesis, molecular structure, spectral analysis and nonlinear optical studies on 4-(4-bromophenyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-amine: A combined experimental and DFT approach
Tamer, Ömer
;
Baris Seckin Arslan
;
Avcı, Davut
;
Nebioğlu, Mehmet
;
Atalay, Yusuf
;
Bunyemin Cosut
(
ELSEVIER SCIENCE BV
,
2016
)
Synthesis, spectroscopic characterization, second and third-order nonlinear optical properties, and DFT calculations of a novel Mn(II) complex
Tamer, Ömer
;
Avcı, Davut
;
Atalay, Yusuf
(
ELSEVIER SCIENCE SA
,
2015
)
Theoretical Investigations on Nonlinear Optical and Spectroscopic Properties of 6-(3,3,4,4,4-Pentafluoro-2-hydroxy-1-butenyl)-2,4-pyrimidinedione: An Efficient NLO Material
Tamer, Ömer
;
Avcı, Davut
;
Atalay, Yusuf
(
MAIK NAUKA/INTERPERIODICA/SPRINGER
,
2014
)
SPECTROSCOPIC STUDY, NLO PROPERTIES AND HOMO-LUMO ANALYSIS ON DIFFERENT DONOR AND ACCEPTOR SUBSTITUENTS OF THIAZOLYLAZOPYRIMIDINE CHROMOPHORES
Tamer, Ömer
;
Atalay, Yusuf
;
Avcı, Davut
(
WORLD SCIENTIFIC PUBL CO PTE LTD
,
2013
)
Quantum chemical computational studies on bis-thiourea zinc acetate
Tamer, Ömer
;
Avcı, Davut
;
Atalay, Yusuf
(
SCIENDO
,
2013
)
Theoretical Investigations on Nonlinear Optical and Spectroscopic Properties of 6-(3,3,4,4,4-Pentafluoro-2-hydroxy-1-butenyl)-2,4-pyrimidinedione: An Efficient NLO Material
Hacer Pir Gumus
;
Tamer, Ömer
;
Avcı, Davut
;
Erdogan Tarcan
;
Atalay, Yusuf
(
MAIK NAUKA/INTERPERIODICA/SPRINGER
,
2014
)
Theoretical analysis on structural, spectroscopic, and electronic properties of some 2-aminobenzimidazole complexes by using PBE1PBE, B3LYP, and HF methods
Tamer, Ömer
;
Gözükızıl, Ömer Faruk
;
Avcı, Davut
;
Atalay, Yusuf
(
PLEIADES PUBLISHING INC
,
2014
)
Crystal growth, structural and spectroscopic characterization, antimicrobial activity, DNA cleavage, molecular docking and density functional theory calculations of Zn(II) complex with 2-pyridinecarboxylic acid
Tamer, Ömer
;
Avcı, Davut
;
Emine Celikoglu
;
Onder Idil
;
Atalay, Yusuf
(
WILEY
,
2018
)
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Atalay, Yusuf (19)
Avcı, Davut (19)
Tamer, Ömer (19)
Baris Seckin Arslan (2)
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Gözükızıl, Ömer Faruk (2)
Nebioğlu, Mehmet (2)
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A. Basoslu (1)
Abdelkader Chouaih (1)
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Chemistry (10)
C-6 fluoroalkylated pyridine; potential energy scan; natural bonding orbital analysis; nonlinear optical properties; HF and DFT calculations (2)
Physics (2)
Materials Science (1)
Spectroscopy (1)
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