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Showing 10 out of a total of 117 results for community: Fakülteler / Faculties.
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Optimized geometry, vibration (IR and Raman) spectra and nonlinear optical activity of p-nitroanilinium perchlorate molecule: A theoretical study
Tamer, Ömer
;
Ahmet Sefa Atalay
;
Avcı, Davut
;
Atalay, Yusuf
;
Erdogan Tarcan
;
Mariusz K. Marchewka
(
DE GRUYTER OPEN LTD
,
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
)
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
)
Geometry Optimization, Spectral Analysis, Molecular Electrostatic Potential Surface, and Nonlinear Optical Activity of 4-Methyl Anilinium Phenolsulfonate: a DFT Study
Tamer, Ömer
;
Avcı, Davut
;
Atalay, Yusuf
(
SPRINGER
,
2015
)
Theoretical Investigation of 6-(3,3,4,4,4-Pentafluoro-2-Hydroxy-1-Butenyl)-2,4-Dimethoxy-Pyrimidine Molecule
Hacer Pir
;
Nergin Gunay
;
Avcı, Davut
;
Tamer, Ömer
;
Erdogan Tarcan
;
Atalay, Yusuf
(
SPRINGER HEIDELBERG
,
2014
)
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
)
GIAO calculations of chemical shifts in ethene-1,1,2,2-tetrayltetramethylene tetrathiocyanate
Atalay, Yusuf
;
Avcı, Davut
(
TAYLOR & FRANCIS INC
,
2008
)
Molecular structure, vibrational and chemical shift assignments of 8-hydroxy-1-methylquinolinium iodide hydrate by density functional theory (DFT) and ab initio Hartree-Fock (HF) calculations
Atalay, Yusuf
;
Avcı, Davut
;
Başoğlu, Adil
(
PERGAMON-ELSEVIER SCIENCE LTD
,
2008
)
Molecular structure and vibrational and chemical shift assignments of 5-(2-Hydroxyphenyl)-4-(p-tolyl)-2,4-dihydro-1,2,4-triazole-3-thione by DFT and ab initio HF calculations
Avcı, Davut
;
Atalay, Yusuf
(
SPRINGER
,
2008
)
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Author
Avcı, Davut (117)
Atalay, Yusuf (107)
Tamer, Ömer (68)
Başoğlu, Adil (25)
Necmi Dege (11)
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A. Chouaih (4)
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Chemistry (37)
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Physics (18)
Materials Science (6)
Science & Technology - Other Topics (4)
Crystallography (3)
4-methoxybenzaldehyde-N-methyl-4-stilbazolium tosylate; spectroscopic and structural properties; natural bond orbital analysis; nonlinear optical parameters; Hartree-Fock and density functional theory calculations (2)
C-6 fluoroalkylated pyridine; potential energy scan; natural bonding orbital analysis; nonlinear optical properties; HF and DFT calculations (2)
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Pharmacology & Pharmacy (2)
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2010 - 2020 (91)
2005 - 2009 (26)
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