2019

  • M. Baibarac, M. Stroe, and S. N. Fejer, “Vibrational and photoluminescence properties of polydiphenylamine doped with silicotungstic acid heteropolyanions and their composites with reduced graphene oxide,” Journal of molecular structure, vol. 1184, p. 25–35, 2019.
    [Bibtex]
    @article{baibarac2019vibrational,
    title={Vibrational and photoluminescence properties of polydiphenylamine doped with silicotungstic acid heteropolyanions and their composites with reduced graphene oxide},
    author={Baibarac, Mihaela and Stroe, Malvina and Fejer, Szilard N},
    journal={Journal of Molecular Structure},
    volume={1184},
    pages={25--35},
    year={2019},
    publisher={Elsevier}
    }
  • M. Baibarac, M. Daescu, and S. Fejer, “Adsorption of 1, 4-phenylene diisothiocyanate onto the graphene oxide sheets functionalized with polydiphenylamine in doped state,” Scientific reports, vol. 9, iss. 1, p. 1–10, 2019.
    [Bibtex]
    @article{baibarac2019adsorption,
    title={Adsorption of 1, 4-phenylene diisothiocyanate onto the graphene oxide sheets functionalized with polydiphenylamine in doped state},
    author={Baibarac, M and Daescu, M and Fejer, SN},
    journal={Scientific reports},
    volume={9},
    number={1},
    pages={1--10},
    year={2019},
    publisher={Nature Publishing Group}
    }

2018

  • S. N. Fejer, R. G. Mantell, and D. J. Wales, “Designing hierarchical molecular complexity: icosahedra of addressable icosahedra,” Molecular physics, vol. 116, iss. 21-22, p. 2954–2964, 2018.
    [Bibtex]
    @article{fejer2018designing,
    title={Designing hierarchical molecular complexity: icosahedra of addressable icosahedra},
    author={Fejer, Szilard N and Mantell, Rosemary G and Wales, David J},
    journal={Molecular Physics},
    volume={116},
    number={21-22},
    pages={2954--2964},
    year={2018},
    publisher={Taylor \& Francis}
    }

2017

  • Z. Antal, J. Szoverfi, and S. N. Fejer, “Predicting the initial steps of salt-stable cowpea chlorotic mottle virus capsid assembly with atomistic force fields,” Journal of chemical information and modeling, vol. 57, iss. 4, p. 910–917, 2017.
    [Bibtex]
    @article{antal2017predicting,
    title={Predicting the initial steps of salt-stable cowpea chlorotic mottle virus capsid assembly with atomistic force fields},
    author={Antal, Zoltan and Szoverfi, Janos and Fejer, Szilard N},
    journal={Journal of chemical information and modeling},
    volume={57},
    number={4},
    pages={910--917},
    year={2017},
    publisher={American Chemical Society}
    }

2015

  • S. N. Fejer and D. J. Wales, “Design of a kagome lattice from soft anisotropic particles,” Soft matter, vol. 11, iss. 33, p. 6663–6668, 2015.
    [Bibtex]
    @article{fejer2015design,
    title={Design of a Kagome lattice from soft anisotropic particles},
    author={Fejer, Szilard N and Wales, David J},
    journal={Soft matter},
    volume={11},
    number={33},
    pages={6663--6668},
    year={2015},
    publisher={Royal Society of Chemistry}
    }

2014

  • B. Jójárt, B. Viskolcz, M. Poša, and S. N. Fejer, “Global optimization of cholic acid aggregates,” The journal of chemical physics, vol. 140, iss. 14, p. 144302, 2014.
    [Bibtex]
    @article{jojart2014global,
    title={Global optimization of cholic acid aggregates},
    author={J{\'o}j{\'a}rt, Bal{\'a}zs and Viskolcz, B{\'e}la and Po{\v{s}}a, Mihalj and Fejer, Szilard N},
    journal={The Journal of chemical physics},
    volume={140},
    number={14},
    pages={144302},
    year={2014},
    publisher={AIP}
    }
  • S. N. Fejer, D. Chakrabarti, H. Kusumaatmaja, and D. J. Wales, “Design principles for bernal spirals and helices with tunable pitch,” Nanoscale, vol. 6, iss. 16, p. 9448–9456, 2014.
    [Bibtex]
    @article{fejer2014design,
    title={Design principles for Bernal spirals and helices with tunable pitch},
    author={Fejer, Szilard N and Chakrabarti, Dwaipayan and Kusumaatmaja, Halim and Wales, David J},
    journal={Nanoscale},
    volume={6},
    number={16},
    pages={9448--9456},
    year={2014},
    publisher={Royal Society of Chemistry}
    }

2013

  • I. Jákli, I. G. Csizmadia, S. N. Fejer, Ödön. Farkas, B. Viskolcz, S. K. J. Jensen, and A. Perczel, “Helix compactness and stability: electron structure calculations of conformer dependent thermodynamic functions,” Chemical physics letters, vol. 563, p. 80–87, 2013.
    [Bibtex]
    @article{jakli2013helix,
    title={Helix compactness and stability: Electron structure calculations of conformer dependent thermodynamic functions},
    author={J{\'a}kli, Imre and Csizmadia, Imre G and Fejer, Szilard N and Farkas, {\"O}d{\"o}n and Viskolcz, Bela and Jensen, Svend J Knak and Perczel, Andras},
    journal={Chemical Physics Letters},
    volume={563},
    pages={80--87},
    year={2013},
    publisher={North-Holland}
    }
  • C. J. Forman, S. N. Fejer, D. Chakrabarti, P. D. Barker, and D. J. Wales, “Local frustration determines molecular and macroscopic helix structures,” The journal of physical chemistry b, vol. 117, iss. 26, p. 7918–7928, 2013.
    [Bibtex]
    @article{forman2013local,
    title={Local frustration determines molecular and macroscopic helix structures},
    author={Forman, Christopher J and Fejer, Szilard N and Chakrabarti, Dwaipayan and Barker, Paul D and Wales, David J},
    journal={The Journal of Physical Chemistry B},
    volume={117},
    number={26},
    pages={7918--7928},
    year={2013},
    publisher={American Chemical Society}
    }
  • S. W. Olesen, S. N. Fejer, D. Chakrabarti, and D. J. Wales, “A left-handed building block self-assembles into right-and left-handed helices,” Rsc advances, vol. 3, iss. 31, p. 12905–12908, 2013.
    [Bibtex]
    @article{olesen2013left,
    title={A left-handed building block self-assembles into right-and left-handed helices},
    author={Olesen, Scott W and Fejer, Szilard N and Chakrabarti, Dwaipayan and Wales, David J},
    journal={RSC Advances},
    volume={3},
    number={31},
    pages={12905--12908},
    year={2013},
    publisher={Royal Society of Chemistry}
    }
  • I. Jákli, I. G. Csizmadia, S. N. Fejer, Ödön. Farkas, B. Viskolcz, S. K. Jensen, and A. Perczel, “Helix compactness and stability,” Chemical physics letters, 2013.
    [Bibtex]
    @article{jakli2013helix,
    title={Helix compactness and stability},
    author={J{\'a}kli, Imre and Csizmadia, Imre G and Fejer, Szilard N and Farkas, {\"O}d{\"o}n and Viskolcz, Bela and Jensen, Svend Knak and Perczel, Andras},
    journal={Chemical Physics Letters},
    year={2013}
    }

2012

  • E. Malolepsza, B. Strodel, M. Khalili, S. Trygubenko, S. Fejer, J. M. Carr, and D. J. Wales, “Symmetrization of the amber and charmm force fields (vol 31, pg 1402, 2010),” Journal of computational chemistry, vol. 33, iss. 27, p. 2209–2209, 2012.
    [Bibtex]
    @article{malolepsza2012symmetrization,
    title={Symmetrization of the AMBER and CHARMM force fields (vol 31, pg 1402, 2010)},
    author={Malolepsza, Edyta and Strodel, Birgit and Khalili, Mey and Trygubenko, Semen and Fejer, Szilard and Carr, Joanne M and Wales, David J},
    journal={JOURNAL OF COMPUTATIONAL CHEMISTRY},
    volume={33},
    number={27},
    pages={2209--2209},
    year={2012},
    publisher={WILEY-BLACKWELL 111 RIVER ST, HOBOKEN 07030-5774, NJ USA}
    }

2011

  • S. N. Fejer, D. Chakrabarti, and D. J. Wales, “Self-assembly of anisotropic particles,” Soft matter, vol. 7, iss. 7, p. 3553–3564, 2011.
    [Bibtex]
    @article{fejer2011self,
    title={Self-assembly of anisotropic particles},
    author={Fejer, Szilard N and Chakrabarti, Dwaipayan and Wales, David J},
    journal={Soft Matter},
    volume={7},
    number={7},
    pages={3553--3564},
    year={2011},
    publisher={Royal Society of Chemistry}
    }
  • D. Chakrabarti, S. N. Fejer, and D. J. Wales, “Self-assembly of nanoclusters: an energy landscape perspective,” in Computational nanoscience, Royal Society of Chemistry, 2011, p. 58–81.
    [Bibtex]
    @incollection{chakrabarti2011self,
    title={Self-assembly of nanoclusters: An energy landscape perspective},
    author={Chakrabarti, Dwaipayan and Fejer, Szilard N and Wales, David J},
    booktitle={Computational Nanoscience},
    pages={58--81},
    year={2011},
    publisher={Royal Society of Chemistry}
    }

2010

  • S. N. Fejer, D. Chakrabarti, and D. J. Wales, “Emergent complexity from simple anisotropic building blocks: shells, tubes, and spirals,” Acs nano, vol. 4, iss. 1, p. 219–228, 2010.
    [Bibtex]
    @article{fejer2010emergent,
    title={Emergent complexity from simple anisotropic building blocks: shells, tubes, and spirals},
    author={Fejer, Szilard N and Chakrabarti, Dwaipayan and Wales, David J},
    journal={ACS nano},
    volume={4},
    number={1},
    pages={219--228},
    year={2010},
    publisher={ACS Publications}
    }
  • E. Ma{l}olepsza, B. Strodel, M. Khalili, S. Trygubenko, S. N. Fejer, and D. J. Wales, “Symmetrization of the amber and charmm force fields,” Journal of computational chemistry, vol. 31, iss. 7, p. 1402–1409, 2010.
    [Bibtex]
    @article{malolepsza2010symmetrization,
    title={Symmetrization of the AMBER and CHARMM force fields},
    author={Ma{\l}olepsza, Edyta and Strodel, Birgit and Khalili, Mey and Trygubenko, Semen and Fejer, Szilard N and Wales, David J},
    journal={Journal of computational chemistry},
    volume={31},
    number={7},
    pages={1402--1409},
    year={2010},
    publisher={Wiley Subscription Services, Inc., A Wiley Company Hoboken}
    }
  • M. S. Bauer, B. Strodel, S. N. Fejer, E. F. Koslover, and D. J. Wales, “Interpolation schemes for peptide rearrangements,” The journal of chemical physics, vol. 132, iss. 5, p. 54101, 2010.
    [Bibtex]
    @article{bauer2010interpolation,
    title={Interpolation schemes for peptide rearrangements},
    author={Bauer, Marianne S and Strodel, Birgit and Fejer, Szilard N and Koslover, Elena F and Wales, David J},
    journal={The Journal of chemical physics},
    volume={132},
    number={5},
    pages={054101},
    year={2010},
    publisher={AIP}
    }

2009

  • D. Chakrabarti, S. N. Fejer, and D. J. Wales, “Rational design of helical architectures,” Proceedings of the national academy of sciences, vol. 106, iss. 48, p. 20164–20167, 2009.
    [Bibtex]
    @article{chakrabarti2009rational,
    title={Rational design of helical architectures},
    author={Chakrabarti, Dwaipayan and Fejer, Szilard N and Wales, David J},
    journal={Proceedings of the National Academy of Sciences},
    volume={106},
    number={48},
    pages={20164--20167},
    year={2009},
    publisher={National Academy of Sciences}
    }
  • S. N. Fejer, T. R. James, J. Hernandez-Rojas, and D. J. Wales, “Energy landscapes for shells assembled from pentagonal and hexagonal pyramids,” Physical chemistry chemical physics, vol. 11, iss. 12, p. 2098–2104, 2009.
    [Bibtex]
    @article{fejer2009energy,
    title={Energy landscapes for shells assembled from pentagonal and hexagonal pyramids},
    author={Fejer, Szilard N and James, Tim R and Hernandez-Rojas, Javier and Wales, David J},
    journal={Physical Chemistry Chemical Physics},
    volume={11},
    number={12},
    pages={2098--2104},
    year={2009},
    publisher={Royal Society of Chemistry}
    }
  • S. N. Fejer and D. J. Wales, “Learning from nature for artificial synthesis,” Pnas, vol. 106, iss. 48, p. 20135–20136, 2009.
    [Bibtex]
    @article{fejer2009learning,
    title={Learning from nature for artificial synthesis},
    author={Fejer, Szilard N and Wales, David J},
    journal={PNAS},
    volume={106},
    number={48},
    pages={20135--20136},
    year={2009},
    publisher={National Acad Sciences}
    }
  • S. Fejer, “Self-assembly in complex systems,” PhD Thesis, 2009.
    [Bibtex]
    @phdthesis{fejer2009self,
    title={Self-assembly in complex systems},
    author={Fejer, Szilard},
    year={2009},
    school={University of Cambridge}
    }

2007

  • S. N. Fejer and D. J. Wales, “Helix self-assembly from anisotropic molecules,” Physical review letters, vol. 99, iss. 8, p. 86106, 2007.
    [Bibtex]
    @article{fejer2007helix,
    title={Helix self-assembly from anisotropic molecules},
    author={Fejer, Szilard N and Wales, David J},
    journal={Physical review letters},
    volume={99},
    number={8},
    pages={086106},
    year={2007},
    publisher={American Physical Society}
    }
  • B. Viskolcz, M. Szori, R. Izsak, S. N. Fejer, and I. G. Csizmadia, “Thermodynamic functions of conformational changes, part iv: functional analysis of conformational entropy of substituted ethane and methanol,” International journal of quantum chemistry, vol. 107, iss. 8, p. 1826–1834, 2007.
    [Bibtex]
    @article{viskolcz2007thermodynamic,
    title={Thermodynamic functions of conformational changes, part IV: Functional analysis of conformational entropy of substituted ethane and methanol},
    author={Viskolcz, B{\'e}la and Szori, Milan and Izsak, Robert and Fejer, Szilard N and Csizmadia, Imre G},
    journal={International Journal of Quantum Chemistry},
    volume={107},
    number={8},
    pages={1826--1834},
    year={2007},
    publisher={Wiley Subscription Services, Inc., A Wiley Company Hoboken}
    }
  • B. Viskolcz, S. N. Fejer, S. K. J. Jensen, A. Perczel, and I. G. Csizmadia, “Information accumulation in helical oligopeptide structures,” Chemical physics letters, vol. 450, iss. 1-3, p. 123–126, 2007.
    [Bibtex]
    @article{viskolcz2007information,
    title={Information accumulation in helical oligopeptide structures},
    author={Viskolcz, Bela and Fejer, Szilard N and Jensen, Svend J Knak and Perczel, Andras and Csizmadia, Imre G},
    journal={Chemical Physics Letters},
    volume={450},
    number={1-3},
    pages={123--126},
    year={2007},
    publisher={North-Holland}
    }

2006

  • M. A. Sahai, S. N. Fejer, B. Viskolcz, E. F. Pai, and I. G. Csizmadia, “First-principle computational study on the full conformational space of l-threonine diamide, the energetic stability of cis and trans isomers,” The journal of physical chemistry a, vol. 110, iss. 40, p. 11527–11536, 2006.
    [Bibtex]
    @article{sahai2006first,
    title={First-principle computational study on the full conformational space of L-threonine diamide, the energetic stability of cis and trans isomers},
    author={Sahai, Michelle A and Fejer, Szilard N and Viskolcz, Bela and Pai, Emil F and Csizmadia, Imre G},
    journal={The Journal of Physical Chemistry A},
    volume={110},
    number={40},
    pages={11527--11536},
    year={2006},
    publisher={ACS Publications}
    }
  • B. Viskolcz, S. N. Fejer, and I. G. Csizmadia, “Thermodynamic functions of conformational changes. 2. conformational entropy as a measure of information accumulation,” The journal of physical chemistry a, vol. 110, iss. 10, p. 3808–3813, 2006.
    [Bibtex]
    @article{viskolcz2006thermodynamic,
    title={Thermodynamic functions of conformational changes. 2. Conformational entropy as a measure of information accumulation},
    author={Viskolcz, Bela and Fejer, Szilard N and Csizmadia, Imre G},
    journal={The Journal of Physical Chemistry A},
    volume={110},
    number={10},
    pages={3808--3813},
    year={2006},
    publisher={ACS Publications}
    }
  • S. N. Fejer, I. G. Csizmadia, and B. Viskolcz, “Thermodynamic functions of conformational changes: conformational network of glycine diamide folding, entropy lowering, and informational accumulation,” The journal of physical chemistry a, vol. 110, iss. 49, p. 13325–13331, 2006.
    [Bibtex]
    @article{fejer2006thermodynamic,
    title={Thermodynamic functions of conformational changes: Conformational network of glycine diamide folding, entropy lowering, and informational accumulation},
    author={Fejer, Szilard N and Csizmadia, Imre G and Viskolcz, Bela},
    journal={The Journal of Physical Chemistry A},
    volume={110},
    number={49},
    pages={13325--13331},
    year={2006},
    publisher={ACS Publications}
    }

2005

  • C. M. Nagy, S. N. Fejer, L. Berek, J. Molnar, and B. Viskolcz, “Hydrogen bondings in deoxynivalenol (don) conformations—a density functional study,” Journal of molecular structure: theochem, vol. 726, iss. 1-3, p. 55–59, 2005.
    [Bibtex]
    @article{nagy2005hydrogen,
    title={Hydrogen bondings in deoxynivalenol (DON) conformations—a density functional study},
    author={Nagy, Christina M and Fejer, Szilard N and Berek, Livia and Molnar, Joseph and Viskolcz, Bela},
    journal={Journal of Molecular Structure: THEOCHEM},
    volume={726},
    number={1-3},
    pages={55--59},
    year={2005},
    publisher={Elsevier}
    }
  • J. M. Law, S. N. Fejer, D. H. Setiadi, G. A. Chass, and B. Viskolcz, “Molecular orbital computations on lipids: an ab initio exploratory study on the conformations of glycerol and its fluorine congeners,” Journal of molecular structure: theochem, vol. 722, iss. 1-3, p. 79–96, 2005.
    [Bibtex]
    @article{law2005molecular,
    title={Molecular orbital computations on lipids: an ab initio exploratory study on the conformations of glycerol and its fluorine congeners},
    author={Law, Jacqueline MS and Fejer, Szilard N and Setiadi, David H and Chass, Gregory A and Viskolcz, Bela},
    journal={Journal of Molecular Structure: THEOCHEM},
    volume={722},
    number={1-3},
    pages={79--96},
    year={2005},
    publisher={Elsevier}
    }

2003

  • S. N. Fejér, Z. A. Jenei, and G. Paragi, “Conformational effects of the valine sidechain on the $\beta$l$\beta$l extended and type i beta turn backbone structures of meco-val-ala-nhme and meco-ala-val-nhme. an ab initio exploratory conformational study,” Journal of molecular structure: theochem, vol. 666, p. 303–310, 2003.
    [Bibtex]
    @article{fejer2003conformational,
    title={Conformational effects of the valine sidechain on the $\beta$L$\beta$L extended and Type I beta turn backbone structures of MeCO-Val-Ala-NHMe and MeCO-Ala-Val-NHMe. An ab initio exploratory conformational study},
    author={Fej{\'e}r, Szil{\'a}rd N and Jenei, Zsuzsanna A and Paragi, G{\'a}bor},
    journal={Journal of Molecular Structure: THEOCHEM},
    volume={666},
    pages={303--310},
    year={2003},
    publisher={Elsevier}
    }