TY  - CONF
AU  - Radisavljević, Ivana
AU  - Marjanovic, D.
AU  - Novaković, Nikola
AU  - Ivanović, Nenad
PY  - 2007
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/6698
AB  - Effects induced by uniaxial compression and external electric field in P2P to P6P oligophenylene molecules are investigated by versatile calculations. In this way some useful relations between particular values of compression or field directions and intensities to specific changes in molecular structure and properties have been established, enabling estimation of possibilities for tuning the materials characteristics and their spectroscopic analyses. The results are compared to the existing experimental data and similar calculations, and some consequences for applications of oligophenylenes-based materials are discussed.
C3  - Materials Science Forum
T1  - Changes in structure and properties of oligophenylenes under selected external influences
VL  - 555
SP  - 509
EP  - +
DO  - 10.4028/www.scientific.net/MSF.555.509
ER  - 

@conference{
author = "Radisavljević, Ivana and Marjanovic, D. and Novaković, Nikola and Ivanović, Nenad",
year = "2007",
abstract = "Effects induced by uniaxial compression and external electric field in P2P to P6P oligophenylene molecules are investigated by versatile calculations. In this way some useful relations between particular values of compression or field directions and intensities to specific changes in molecular structure and properties have been established, enabling estimation of possibilities for tuning the materials characteristics and their spectroscopic analyses. The results are compared to the existing experimental data and similar calculations, and some consequences for applications of oligophenylenes-based materials are discussed.",
journal = "Materials Science Forum",
title = "Changes in structure and properties of oligophenylenes under selected external influences",
volume = "555",
pages = "509-+",
doi = "10.4028/www.scientific.net/MSF.555.509"
}

Radisavljević, I., Marjanovic, D., Novaković, N.,& Ivanović, N.. (2007). Changes in structure and properties of oligophenylenes under selected external influences. in Materials Science Forum, 555, 509-+.
https://doi.org/10.4028/www.scientific.net/MSF.555.509

Radisavljević I, Marjanovic D, Novaković N, Ivanović N. Changes in structure and properties of oligophenylenes under selected external influences. in Materials Science Forum. 2007;555:509-+.
doi:10.4028/www.scientific.net/MSF.555.509 .

Radisavljević, Ivana, Marjanovic, D., Novaković, Nikola, Ivanović, Nenad, "Changes in structure and properties of oligophenylenes under selected external influences" in Materials Science Forum, 555 (2007):509-+,
https://doi.org/10.4028/www.scientific.net/MSF.555.509 . .

TY  - JOUR
AU  - Radisavljević, Ivana
AU  - Marjanovic, D.
AU  - Novaković, Nikola
AU  - Ivanović, Nenad
PY  - 2006
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/6613
AB  - Using semi-empirical quantum mechanic (AMI, ZINDO/S) and ab-initio Hartree-Fock (HF) calculations we investigated selected structural, electronic and vibrational properties of phenylene-based oligomers from biphenyl P2P to para-sexiphenil P6P. Special attention is paid to the interplay of electrostatic and conjugation effects on torsion barrier, energy gap, charge distribution and selected vibrational modes, and their dependence on torsion angle and oligomer size.
T2  - Materials Science Forum
T1  - Structural, electronic and optical properties of some oligo-phenylenes
VL  - 518
SP  - 393
EP  - 398
DO  - 10.4028/www.scientific.net/MSF.518.393
ER  - 

@article{
author = "Radisavljević, Ivana and Marjanovic, D. and Novaković, Nikola and Ivanović, Nenad",
year = "2006",
abstract = "Using semi-empirical quantum mechanic (AMI, ZINDO/S) and ab-initio Hartree-Fock (HF) calculations we investigated selected structural, electronic and vibrational properties of phenylene-based oligomers from biphenyl P2P to para-sexiphenil P6P. Special attention is paid to the interplay of electrostatic and conjugation effects on torsion barrier, energy gap, charge distribution and selected vibrational modes, and their dependence on torsion angle and oligomer size.",
journal = "Materials Science Forum",
title = "Structural, electronic and optical properties of some oligo-phenylenes",
volume = "518",
pages = "393-398",
doi = "10.4028/www.scientific.net/MSF.518.393"
}

Radisavljević, I., Marjanovic, D., Novaković, N.,& Ivanović, N.. (2006). Structural, electronic and optical properties of some oligo-phenylenes. in Materials Science Forum, 518, 393-398.
https://doi.org/10.4028/www.scientific.net/MSF.518.393

Radisavljević I, Marjanovic D, Novaković N, Ivanović N. Structural, electronic and optical properties of some oligo-phenylenes. in Materials Science Forum. 2006;518:393-398.
doi:10.4028/www.scientific.net/MSF.518.393 .

Radisavljević, Ivana, Marjanovic, D., Novaković, Nikola, Ivanović, Nenad, "Structural, electronic and optical properties of some oligo-phenylenes" in Materials Science Forum, 518 (2006):393-398,
https://doi.org/10.4028/www.scientific.net/MSF.518.393 . .

TY  - JOUR
AU  - Ivanović, Nenad
AU  - Radisavljević, Ivana
AU  - Marjanovic, D.
AU  - Bojanic, S.
AU  - Carreras, C.
PY  - 2006
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3033
AB  - Electronic and vibrational properties of phenylene-based oligomers from biphenyl P2P to para-sexiphenil P6P, and their dependence on torsion angle are calculated using semiempirical quantum mechanic (AM1, ZINDO/S) and ab initio linear combination of atomic orbitals methods. The systematic relations between molecular size and geometry, and numerous molecular properties have been established, providing the basis both for the spectroscopic identification of different structures that could appear during material processing and for tailoring of devices with desired properties. (c) 2006 Wiley Periodicals, Inc.
T2  - Journal of Polymer Science. Part B: Polymer Physics
T1  - Molecular size and conformational effects on oligophenylenes electronic and vibrational properties
VL  - 44
IS  - 13
SP  - 1783
EP  - 1794
DO  - 10.1002/polb.20828
ER  - 

@article{
author = "Ivanović, Nenad and Radisavljević, Ivana and Marjanovic, D. and Bojanic, S. and Carreras, C.",
year = "2006",
abstract = "Electronic and vibrational properties of phenylene-based oligomers from biphenyl P2P to para-sexiphenil P6P, and their dependence on torsion angle are calculated using semiempirical quantum mechanic (AM1, ZINDO/S) and ab initio linear combination of atomic orbitals methods. The systematic relations between molecular size and geometry, and numerous molecular properties have been established, providing the basis both for the spectroscopic identification of different structures that could appear during material processing and for tailoring of devices with desired properties. (c) 2006 Wiley Periodicals, Inc.",
journal = "Journal of Polymer Science. Part B: Polymer Physics",
title = "Molecular size and conformational effects on oligophenylenes electronic and vibrational properties",
volume = "44",
number = "13",
pages = "1783-1794",
doi = "10.1002/polb.20828"
}

Ivanović, N., Radisavljević, I., Marjanovic, D., Bojanic, S.,& Carreras, C.. (2006). Molecular size and conformational effects on oligophenylenes electronic and vibrational properties. in Journal of Polymer Science. Part B: Polymer Physics, 44(13), 1783-1794.
https://doi.org/10.1002/polb.20828

Ivanović N, Radisavljević I, Marjanovic D, Bojanic S, Carreras C. Molecular size and conformational effects on oligophenylenes electronic and vibrational properties. in Journal of Polymer Science. Part B: Polymer Physics. 2006;44(13):1783-1794.
doi:10.1002/polb.20828 .

Ivanović, Nenad, Radisavljević, Ivana, Marjanovic, D., Bojanic, S., Carreras, C., "Molecular size and conformational effects on oligophenylenes electronic and vibrational properties" in Journal of Polymer Science. Part B: Polymer Physics, 44, no. 13 (2006):1783-1794,
https://doi.org/10.1002/polb.20828 . .