Publications & Works

Publication Network
Journal articles indexed in SCI, SSCI, and AHCI 20

Theoretically designated synthesizable donor-acceptor type semiconducting copolymers: Investigation into molecular, electronic, and optical properties

SEYİTDANLIOĞLU ŞİRİN P., ÜNAL CİVCİR P., ÜNALEROĞLU C.
MATERIALS CHEMISTRY AND PHYSICS , vol.275, 2022 (SCI-Expanded) identifier identifier

A computational insight on designing low electronic energy gap benzothiadiazole/benzoselenadiazole-pyrrole copolymers

SEYİTDANLIOĞLU ŞİRİN P., ÜNAL CİVCİR P., ÜNALEROĞLU C.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY , vol.121, no.8, 2021 (SCI-Expanded) identifier identifier

Narrow-energy gap conjugated polymers based on benzobisthiadiazole and thiadiazoloquinoxaline: DFT and TDDFT study

ÜNAL CİVCİR P., Ozen E., Karadeniz C.
JOURNAL OF MOLECULAR MODELING , vol.26, no.10, 2020 (SCI-Expanded) identifier identifier identifier

Computational modelling of donor-acceptor-donor conjugated polymers based on benzothiadiazole

ÜNAL CİVCİR P.
COMPUTATIONAL AND THEORETICAL CHEMISTRY , vol.1128, pp.70-82, 2018 (SCI-Expanded) identifier identifier

Experimental and theoretical investigation of new furan and thiophene derivatives containing oxazole, isoxazole, or isothiazole subunits

ÜNAL CİVCİR P., KURTAY G., Sarikavak K.
STRUCTURAL CHEMISTRY , vol.28, no.3, pp.773-790, 2017 (SCI-Expanded) identifier identifier

Synthesis and characterization of novel heterosubstituted pyrroles, thiophenes, and furans

Kaniskan N., ELMALI D., ÜNAL CİVCİR P.
ARKIVOC , vol.2008, pp.17-29, 2008 (SCI-Expanded) Creative Commons License identifier identifier

Computational investigations of the gas phase reactions between hydrogen chloride and protonated alkyl chlorides

ÜNAL CİVCİR P.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , vol.848, no.1-3, pp.128-138, 2008 (SCI-Expanded) identifier identifier

Nucleophilic identity substitution reactions. The reaction between hydrogen fluoride and protonated alkyl fluorides

Laerdahl J., ÜNAL CİVCİR P., Bache-Andreassen L., Uggerud E.
ORGANIC & BIOMOLECULAR CHEMISTRY , vol.4, no.1, pp.135-141, 2006 (SCI-Expanded) identifier identifier identifier

A theoretical study of tautomerism of 2,6-dithioxanthine in the gas and aqueous phases using AM1 and PM3 methods

ÜNAL CİVCİR P.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , vol.572, pp.5-13, 2001 (SCI-Expanded) identifier identifier

AM1 and PM3 study of tautomerism of xanthine in the gas and aqueous phases

ÜNAL CİVCİR P.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , vol.545, pp.7-15, 2001 (SCI-Expanded) identifier identifier

Tautomerism of 2-thioxanthine in the gas and aqueous phases using AM1 and PM3 methods

ÜNAL CİVCİR P.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , vol.546, pp.163-173, 2001 (SCI-Expanded) identifier identifier

AM1 and PM3 studies of some thio analogues of pyrimidine bases in the gas and aqueous phases

ÜNAL CİVCİR P.
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY , vol.14, no.3, pp.171-179, 2001 (SCI-Expanded) identifier identifier

AM1 and PM3 study of tautomerism of hypoxanthine in the gas and aqueous phases

ÜNAL CİVCİR P.
STRUCTURAL CHEMISTRY , vol.12, no.1, pp.15-21, 2001 (SCI-Expanded) identifier identifier

Tautomerism of 6-thioguanine in the gas and aqueous phases using AM1 and PM3 methods

ÜNAL CİVCİR P.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , vol.536, no.2-3, pp.161-171, 2001 (SCI-Expanded) identifier identifier

A theoretical study of tautomerism of 6-thiopurine in the gas and aqueous phases using AM1 and PM3

ÜNAL CİVCİR P.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , vol.535, pp.121-129, 2001 (SCI-Expanded) identifier identifier

Tautomerism of 6-thioxanthine in the gas and aqueous phases using AM1 and PM3 methods

ÜNAL CİVCİR P.
JOURNAL OF CHEMICAL PHYSICS , vol.114, no.4, pp.1582-1588, 2001 (SCI-Expanded) identifier identifier

A theoretical study of tautomerism of cytosine, thymine, uracil and their 1-methyl analogues in the gas and aqueous phases using AM1 and PM3

ÜNAL CİVCİR P.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , vol.532, pp.157-169, 2000 (SCI-Expanded) identifier identifier

Investigation of the properties of some furylpyridine and thienylpyridine derivatives in the gas and aqueous phases using semiempirical methods

ÜNAL CİVCİR P., Ogretir C.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM , vol.507, pp.39-51, 2000 (SCI-Expanded) identifier identifier

Extended heterocyclic systems .2. The synthesis and characterisation of (2-furyl)pyridines, (2-thienyl)pyridines, and furan-pyridine and thiophene-pyridine oligomers

Jones R., ÜNAL CİVCİR P.
TETRAHEDRON , vol.53, no.34, pp.11529-11540, 1997 (SCI-Expanded) identifier identifier

Extended heterocyclic systems .1. The synthesis and characterisation of pyrrolylpyridines, alternating pyrrole:pyridine oligomers and polymers, and related systems

Jones R., Karatza M., Toro T., ÜNAL CİVCİR P., Franck A., Ozturk O., et al.
TETRAHEDRON , vol.52, no.26, pp.8707-8724, 1996 (SCI-Expanded) identifier identifier
Articles Published in Other Journals 2

DFT CALCULATIONS OF BENZOISOXAZOLE DERIVATIVES

ÖZEN E., KALKAN M., ÜNAL CİVCİR P.
Communications Faculty Of Science University of Ankara Series B Chemistry and Chemical Engineering , vol.61, no.1-2, pp.31-54, 2019 (Peer-Reviewed Journal)

Karbondioksit Gazının Soda Kireç Üzerinde Absorpsiyonu

Nimet U., Hurriyet E., ÜNAL CİVCİR P., Kara S.
Anadolu Üni., Müh.Mim.Fak. Dergisi , vol.2, no.1, pp.149-157, 1985 (Peer-Reviewed Journal)
Papers Presented at Peer-Reviewed Scientific Conferences 31

Computational NMR, IR study of epibatidine and derivatives and the effects on biological activity

ÜNAL CİVCİR P., Çil Ö.
3rd International Eurasian Biological and Chemical Sciences Conference, 19 - 20 March 2020, (Summary Text)

Optoelectronic Properties of Donor-Acceptor Type Conjugated Polymers

Uludağ K., Karadeniz C., Ortakçı T., KURTAY G., ÜNAL CİVCİR P.
The 3rd International Turkish Congress on Molecular Spectroscopy, Bodrum/Muğla, Turkey, 26 - 29 August 2017, (Summary Text)

Spectroscopic Study of Furan and Benzofuran Derivatives Combined with DFT Calculations

Karadeniz C., Uludağ K., KURTAY G., ÜNAL CİVCİR P.
The 3rd International Turkish Congress on Molecular Spectroscopy, Bodrum/Muğla, Turkey, 26 - 29 August 2017, (Summary Text)

NMR-QSAR Model of Some Imidazole Derivatives

ÜNAL CİVCİR P., KURTAY G., CİVCİR İ.
The 3rd International Turkish Congress on Molecular Spectroscopy, Bodrum/Muğla, Turkey, 26 - 29 August 2017, (Summary Text)

” A Theoretical Calculations of Band Gaps of Conducting Polymers with Electron Donor–Acceptor Un

ÜNAL CİVCİR P.
4Th European Chemistry Congress, Barselona, Spain, 11 - 13 May 2017, (Summary Text)

Computational Study of the Synthesis of Pyrrole-Pyrazines

ÜNAL CİVCİR P.
4Th European Chemistry Congress, Barselona, Spain, 11 - 13 May 2017, (Summary Text)

Experimental and Theoretical Insights into New Furan and Thiophene Derivatives Containing Oxazole, Isoxazole or Isothiazole Subunits as Potent Biologically Active Moieties

ÜNAL CİVCİR P., KURTAY G.
4.th International BAU Drug Design, İstanbul, Turkey, 13 - 15 October 2016, (Summary Text)

Facile Synthesis and Comprehensive DFT Studies on Novel Benzimidazole Pyrazole and Quinazoline Derivatives as Potent Biological Active Agents

KURTAY G., ÜNAL CİVCİR P.
4. BAU DRUG DESIGN Congress, İstanbul, Turkey, 13 - 15 October 2016, (Summary Text)

Biyolojik Aktivite Gösteren Sübstitüe İmidazol Türevlerinin Kuantum Mekaniksel İncelenmesi Ve Yapı Aktivite İlişkisinin Belirlenmesi

Şimşek S., KURTAY G., ÜNAL CİVCİR P.
27. Ulusal Kimya Kongresi, Çanakkale, Turkey, 23 - 28 August 2015

Sübstitüe Pirimidinlerin Stetter Reaksiyonlarının Modellenmesi

Demet K., YALÇIN AHMET I., ÜNAL CİVCİR P.
27. Ulusal Kimya Kongresi, Denizli, Turkey, 23 - 28 August 2015, (Summary Text)

Computational Bandgap Engineering of Designed EDOT Derivatives and Investigation of Their Physicochemical Properties

ÜNAL CİVCİR P., KURTAY G., Kübra S.
International Symposium on Molecular Chemistry, İstanbul, Turkey, 19 December 2014

Potansiyel Biyoaktif İzoksazol Türevlerinin Sentezi ve Yapılarının DFT Yöntemi ile İncelenmesi

Kübra S., KURTAY G., ÜNAL CİVCİR P.
2. Ulusal Organik Kimya Kongresi, Ankara, Turkey, 24 - 26 September 2014, (Summary Text)

Tiyofen ve Furan İçeren Yeni Benzimidazol ve Kinazolin Bileşiklerinin Sentezi ve Teorik Olarak İncelenmeleri

Şeyma K., ÜNAL CİVCİR P.
2. Ulusal Organik Kimya Kongresi, Ankara, Turkey, 24 - 26 September 2014

Dienofil Üzerindeki I M ve I M Türü Sübstitüentlerin Diels Alder Tepkimelerine Etkisinin DFT Yöntemiyle İrdelenmesi

Kübra S., KURTAY G., ÜNAL CİVCİR P.
2. Ulusal Organik Kimya Kongresi, Ankara, Turkey, 24 - 26 September 2014

Diels Alder Reaksiyonlarının Yarı Denel HF ve DFT Yöntemleriyle Modellenmesi

Kübra S., KURTAY G., ÜNAL CİVCİR P.
IV. Fiziksel Kimya Kongresi, Denizli, Turkey, 5 - 08 June 2014, (Summary Text)

Yeni Oksazol Türevlerinin Sentezi ve Yapılarının Teorik Yöntemlerle İncelenmesi

Kübra S., KURTAY G., ÜNAL CİVCİR P.
IV. Fiziksel Kimya Kongresi, Turkey, 5 - 08 June 2014, (Full Text)

Effects of Electron Donating and Electron Withdrawing Groups on Pyrrole Ring System A Detailed Hartree Fock and DFT Study

KURTAY G., ÜNAL CİVCİR P., GÜLLÜ M.
IUPAC 44th World Chemistry Congress, İstanbul, Turkey, 11 August 2011 - 16 August 2013

Structures and Electronic Properties of Some Oligomers Containing Pyrrole and Thiophene for Use in Advanced Technological Materials

ÜNAL CİVCİR P., KURTAY G., GÜLLÜ M.
Chemical Physics IX, İzmir, Turkey, 14 - 17 October 2010

Quantum Mechanic Studies of Some Substıtuted Thiophenes

ÜNAL CİVCİR P., DEMET K.
2nd International Conference on Computation for Science and Technology (ICCST-2), Niğde, Turkey, 8 - 12 July 2012

Quantum Chemical Studies of Some Chromen Derivatives

ÜNAL CİVCİR P., GÖKHAN Ş., ANCIN N.
2nd International Conference on Computation for Science and Technology (ICCST-2), Niğde, Turkey, 8 - 10 July 2012

Theoretical Calculations of the Synthesis of Pyridazine pyrroles

ÜNAL CİVCİR P., GÖZDE SELİN C.
2nd International Conference on Computation for Science and Technology (ICCST-2), Niğde, Turkey, 8 - 12 July 2012

Electrophilicity Index of Substituted Furans

ÜNAL CİVCİR P., HAKAN S., MUSTAFA A., AYŞEN P.
2nd International Conference on Computation for Science and Technology (ICCST-2), Niğde, Turkey, 8 - 12 July 2012

Relative Nucleophilicity Index of Some Furan Derivatives

ÜNAL CİVCİR P., ÇAM U., ARI İ.
Chemical Physics X, Ankara, Turkey, 10 - 12 October 2012

A Theoretical Investigation Electrophilicity Indexes of Some Substituted Coumarins

ÜNAL CİVCİR P., GÖKHAN Ş., ANCIN N.
Chemical Physics X, Ankara, Turkey, 10 - 12 October 2012

Modelling of Conductive Organic Polymers Containing Pyrrole and Thiophene

ÜNAL CİVCİR P., KURTAY G., GÜLLÜ M.
Chemical Physics IX, İzmir, Turkey, 14 - 17 October 2010

Calculation of the pKa Values for Heterosubstituted Thiophenes and Furans

ÜNAL CİVCİR P.
Chemical Physics VIII, İstanbul, Turkey, 24 April 2008 - 25 January 2016, (Summary Text)

Ab initio method for the reactions between hydrogen chloride and protonated (i)propyl- and (t)buthyl chlorides

Ünal Civcir P.
233rd National Meeting of the Cellulose-and-Renewable-Materials-Division of the American-Chemical-Society (ACS), Illinois, United States Of America, 25 - 29 March 2007, vol.233, pp.17, (Summary Text) identifier

Theoretical Models for Reactions Between Hydrogen Chloride and Protonated Alkyl Chlorides Substitution and Elimination Mechanisms

ÜNAL CİVCİR P.
III. Humboldt Conference on Computational Chemistry, Varna, Bulgaria, 24 - 28 June 2006

Protonation of Some Dipyridylfuran and Dipyridylthiophene Derivatives in the Gas and Aqueous Phases

ÜNAL CİVCİR P.
Chemical Physics V, İstanbul, Turkey, 31 October - 01 November 2002

Theoretical Models For Reactions of Hydrogen Floride and Protonated Alkyl Florides

ÜNAL CİVCİR P., Lihn B. A., EINAR U.
International Organic Chemistry Meeting, Hatay, Turkey, 25 - 28 March 2002

Investigation of the Properties of Some Furyl pyridine and Thienyl pyridine Derivatives in the Gas and Aqueous Phases Using Semiempirical Methods

ÜNAL CİVCİR P., CEMİL Ö.
Chemical Physics IV, Eskişehir, Turkey, 28 - 29 January 2000
Metrics

Publication

61

Publication (WoS)

21

Publication (Scopus)

20

Citation (WoS)

337

H-Index (WoS)

10

Citation (Scopus)

368

H-Index (Scopus)

11

Project

12

Thesis Advisory

8

Open Access

5
UN Sustainable Development Goals