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Showing 10 out of a total of 67 results for collection: WOS İndeksli Yayınlar Koleksiyonu / WOS Indexed Publications Collection.
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Molecular structure and vibrational spectra of N-mesylhydroxylamin and N-mesyl-0-methylhydroxylamin by density functional theory and ab initio Hartree-Fock calculations
Atalay, Yusuf
;
Avcı, Davut
;
Başoğlu, Adil
;
Öztürk, Ali
(
ELSEVIER SCIENCE BV
,
2005
)
Ab initio calculation of the molecular structure and vibration frequencies of carbonate ions coordinated to calcium ions in the zeolite CaA by Hartree-Fock methods
Atalay, Yusuf
(
WALTER DE GRUYTER GMBH
,
2005
)
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
)
Antimicrobial activities, DNA interactions, spectroscopic (FT-IR and UV-Vis) characterizations, and DFT calculations for pyridine-2-carboxylic acid and its derivates
Tamer, Ömer
;
Sevil Arabaci Tamer
;
Onder Idil
;
Avcı, Davut
;
Hatice Vural
;
Atalay, Yusuf
(
ELSEVIER SCIENCE BV
,
2018
)
Solvent Effects on Molecular Structure, Vibrational Frequencies, and NLO Properties of N-(2,3-Dichlorophenyl)-2-Nitrobenzene-Sulfonamide: a Density Functional Theory Study
Nadia Benhalima
;
Nourdine Boukabcha
;
Tamer, Ömer
;
Abdelkader Chouaih
;
Avcı, Davut
;
Atalay, Yusuf
;
Fodil Hamzaoui
(
SPRINGER
,
2016
)
The effects of electronegative substituent atoms on structural, vibrational, electronic and NLO properties of some 4-nitrostilbene derivates
Tamer, Ömer
;
Avcı, Davut
;
Atalay, Yusuf
(
PERGAMON-ELSEVIER SCIENCE LTD
,
2015
)
A theoretical study on structural, spectroscopic, electronic and electric properties of 4-chloro 4-nitrostilbene
Tamer, Ömer
;
Avcı, Davut
;
C. Arioglu
;
A. Basoslu
;
Atalay, Yusuf
(
INDIAN ASSOC CULTIVATION SCIENCE
,
2015
)
The Synthesis, Characterization, Crystal Structure and Photophysical Properties of a New Meso-BODIPY Substituted Phthalonitrile
Atalay, Yusuf
;
Yıldız, Salih Zeki
(
SPRINGER/PLENUM PUBLISHERS
,
2015
)
Comparative study of DFT/B3LYP, B3PW91, and HSEH1PBE methods applied to molecular structures and spectroscopic and electronic properties of flufenpyr and amipizone
Avcı, Davut
;
S. Bahceli
;
Tamer, Ömer
;
Atalay, Yusuf
(
CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS
,
2015
)
Theoretical analysis on structural, spectroscopic, and electronic properties of some 2-aminobenzimidazole complexes by using PBE1PBE, B3LYP, and HF methods
Tamer, Ömer
;
Fatih Gozuacik
;
Avcı, Davut
;
Atalay, Yusuf
(
PLEIADES PUBLISHING INC
,
2014
)
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Author
Atalay, Yusuf (67)
Avcı, Davut (40)
Tamer, Ömer (19)
Avci, Davut (14)
Tamer, Omer (13)
Basoglu, Adil (12)
Dege, Necmi (11)
Başoğlu, Adil (10)
Sonmez, Fatih (8)
Alturk, Sumeyye (7)
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Subject
Chemistry (28)
Spectroscopy (14)
Physics (7)
CRYSTAL-STRUCTURE (4)
AB-INITIO (3)
DFT (3)
DFT CALCULATIONS (3)
HARTREE-FOCK (3)
HYPERPOLARIZABILITIES (3)
6-METHYLPICOLINATE (2)
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Date Issued
2020 - 2023 (16)
2010 - 2019 (29)
2001 - 2009 (22)
Has File(s)
No (67)