2017 |
| Kar, Supratik, Roy, Juganta K., Leszczynski, Jerzy In silico designing of power conversion efficient organic lead dyes for solar cells using todays innovative approaches to assure renewable energy for future (Journal Article) npj Computational Materials, 3 (1), pp. 22, 2017, ISSN: 2057-3960. (Links | BibTeX | Tags: ) @article{Kar2017b,
title = {In silico designing of power conversion efficient organic lead dyes for solar cells using todays innovative approaches to assure renewable energy for future},
author = {Kar, Supratik and Roy, Juganta K. and Leszczynski, Jerzy},
url = {http://www.nature.com/articles/s41524-017-0025-z},
doi = {10.1038/s41524-017-0025-z},
issn = {2057-3960},
year = {2017},
date = {2017-12-01},
journal = {npj Computational Materials},
volume = {3},
number = {1},
pages = {22},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Kar, Supratik, Sepúlveda, Maria S., Roy, Kunal, Leszczynski, Jerzy Endocrine-disrupting activity of per- and polyfluoroalkyl substances: Exploring combined approaches of ligand and structure based modeling (Journal Article) Chemosphere, 184 , pp. 514–523, 2017, ISSN: 00456535. (Links | BibTeX | Tags: ) @article{Kar2017a,
title = {Endocrine-disrupting activity of per- and polyfluoroalkyl substances: Exploring combined approaches of ligand and structure based modeling},
author = {Kar, Supratik and Sepúlveda, Maria S. and Roy, Kunal and Leszczynski, Jerzy},
url = {http://linkinghub.elsevier.com/retrieve/pii/S0045653517309268},
doi = {10.1016/j.chemosphere.2017.06.024},
issn = {00456535},
year = {2017},
date = {2017-10-01},
journal = {Chemosphere},
volume = {184},
pages = {514--523},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Vargaljuk, Viktor, Okovytyy, Sergiy, Polonskyy, Volodymyr, Kramska, Olga, Shchukin, Anatoly, Leszczynski, Jerzy Copper Crystallization from Aqueous Solution: Initiation and Evolution of the Polynuclear Clusters (Journal Article) Journal of Cluster Science, 28 (5), pp. 2517–2528, 2017, ISSN: 1040-7278. (Links | BibTeX | Tags: ) @article{Vargaljuk2017,
title = {Copper Crystallization from Aqueous Solution: Initiation and Evolution of the Polynuclear Clusters},
author = {Vargaljuk, Viktor and Okovytyy, Sergiy and Polonskyy, Volodymyr and Kramska, Olga and Shchukin, Anatoly and Leszczynski, Jerzy},
url = {http://link.springer.com/10.1007/s10876-017-1239-4},
doi = {10.1007/s10876-017-1239-4},
issn = {1040-7278},
year = {2017},
date = {2017-09-01},
journal = {Journal of Cluster Science},
volume = {28},
number = {5},
pages = {2517--2528},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Jagiello, Karolina, Sosnowska, Anita, Kar, Supratik, Demkowicz, Sebastian, Daśko, Mateusz, Leszczynski, Jerzy, Rachon, Janusz, Puzyn, Tomasz Geometry optimization of steroid sulfatase inhibitors - the influence on the free binding energy with STS (Journal Article) Structural Chemistry, 28 (4), pp. 1017–1032, 2017, ISSN: 1040-0400. (Links | BibTeX | Tags: ) @article{Jagiello2017,
title = {Geometry optimization of steroid sulfatase inhibitors - the influence on the free binding energy with STS},
author = {Jagiello, Karolina and Sosnowska, Anita and Kar, Supratik and Demkowicz, Sebastian and Daśko, Mateusz and Leszczynski, Jerzy and Rachon, Janusz and Puzyn, Tomasz},
url = {http://link.springer.com/10.1007/s11224-016-0903-x},
doi = {10.1007/s11224-016-0903-x},
issn = {1040-0400},
year = {2017},
date = {2017-08-01},
journal = {Structural Chemistry},
volume = {28},
number = {4},
pages = {1017--1032},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Gooch, Aminah, Sizochenko, Natalia, Rasulev, Bakhtiyor, Gorb, Leonid, Leszczynski, Jerzy In vivo toxicity of nitroaromatics: A comprehensive quantitative structure-activity relationship study (Journal Article) Environmental Toxicology and Chemistry, 36 (8), pp. 2227–2233, 2017, ISSN: 07307268. (Links | BibTeX | Tags: ) @article{Gooch2017,
title = {In vivo toxicity of nitroaromatics: A comprehensive quantitative structure-activity relationship study},
author = {Gooch, Aminah and Sizochenko, Natalia and Rasulev, Bakhtiyor and Gorb, Leonid and Leszczynski, Jerzy},
url = {http://doi.wiley.com/10.1002/etc.3761},
doi = {10.1002/etc.3761},
issn = {07307268},
year = {2017},
date = {2017-08-01},
journal = {Environmental Toxicology and Chemistry},
volume = {36},
number = {8},
pages = {2227--2233},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Nhat, Pham Vu, Si, Nguyen Thanh, Leszczynski, Jerzy, Nguyen, Minh Tho Another look at structure of gold clusters Au n from perspective of phenomenological shell model (Journal Article) Chemical Physics, 493 , pp. 140–148, 2017, ISSN: 03010104. (Links | BibTeX | Tags: ) @article{Nhat2017a,
title = {Another look at structure of gold clusters Au n from perspective of phenomenological shell model},
author = {Nhat, Pham Vu and Si, Nguyen Thanh and Leszczynski, Jerzy and Nguyen, Minh Tho},
url = {http://linkinghub.elsevier.com/retrieve/pii/S0301010417303543},
doi = {10.1016/j.chemphys.2017.06.009},
issn = {03010104},
year = {2017},
date = {2017-08-01},
journal = {Chemical Physics},
volume = {493},
pages = {140--148},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Kirilchuk, Andrey A., Rozhenko, Alexander B., Leszczynski, Jerzy On structure and stability of pyrimidine ylidenes and their homologues (Journal Article) Computational and Theoretical Chemistry, 1103 , pp. 83–91, 2017, ISSN: 2210271X. (Links | BibTeX | Tags: ) @article{Kirilchuk2017,
title = {On structure and stability of pyrimidine ylidenes and their homologues},
author = {Kirilchuk, Andrey A. and Rozhenko, Alexander B. and Leszczynski, Jerzy},
url = {http://linkinghub.elsevier.com/retrieve/pii/S2210271X17300324},
doi = {10.1016/j.comptc.2017.01.024},
issn = {2210271X},
year = {2017},
date = {2017-03-01},
journal = {Computational and Theoretical Chemistry},
volume = {1103},
pages = {83--91},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Yilmaz, Vedat, Yilmaz, Hayriye, Arslan, Zikri, Leszczynski, Jerzy Novel Imprinted Polymer for the Preconcentration of Cadmium with Determination by Inductively Coupled Plasma Mass Spectrometry (Journal Article) Analytical Letters, 50 (3), pp. 482–499, 2017, ISSN: 0003-2719. (Links | BibTeX | Tags: ) @article{Yilmaz2017,
title = {Novel Imprinted Polymer for the Preconcentration of Cadmium with Determination by Inductively Coupled Plasma Mass Spectrometry},
author = {Yilmaz, Vedat and Yilmaz, Hayriye and Arslan, Zikri and Leszczynski, Jerzy},
url = {https://www.tandfonline.com/doi/full/10.1080/00032719.2016.1182544},
doi = {10.1080/00032719.2016.1182544},
issn = {0003-2719},
year = {2017},
date = {2017-02-01},
journal = {Analytical Letters},
volume = {50},
number = {3},
pages = {482--499},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Watkins, Marquita, Sizochenko, Natalia, Moore, Quentarius, Golebiowski, Marek, Leszczynska, Danuta, Leszczynski, Jerzy Chlorophenol sorption on multi-walled carbon nanotubes: DFT modeling and structure–property relationship analysis (Journal Article) Journal of Molecular Modeling, 23 (2), pp. 39, 2017, ISSN: 1610-2940. (Links | BibTeX | Tags: ) @article{Watkins2017,
title = {Chlorophenol sorption on multi-walled carbon nanotubes: DFT modeling and structure–property relationship analysis},
author = {Watkins, Marquita and Sizochenko, Natalia and Moore, Quentarius and Golebiowski, Marek and Leszczynska, Danuta and Leszczynski, Jerzy},
url = {http://link.springer.com/10.1007/s00894-016-3204-9},
doi = {10.1007/s00894-016-3204-9},
issn = {1610-2940},
year = {2017},
date = {2017-02-01},
journal = {Journal of Molecular Modeling},
volume = {23},
number = {2},
pages = {39},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Nhat, Pham Vu, Majumdar, Devashis, Leszczynski, Jerzy, Nguyen, Minh Tho Structural Evolution, Vibrational Signatures and Energetics of Niobium Clusters from Nb2 to Nb20 (Incollection) pp. 87–135, 2017. (Links | BibTeX | Tags: ) @incollection{Nhat2017,
title = {Structural Evolution, Vibrational Signatures and Energetics of Niobium Clusters from Nb2 to Nb20},
author = {Nhat, Pham Vu and Majumdar, Devashis and Leszczynski, Jerzy and Nguyen, Minh Tho},
url = {http://link.springer.com/10.1007/978-3-319-48918-6_3},
doi = {10.1007/978-3-319-48918-6_3},
year = {2017},
date = {2017-01-01},
pages = {87--135},
keywords = {},
pubstate = {published},
tppubtype = {incollection}
}
|
| Sizochenko, Natalia, Syzochenko, Michael, Gajewicz, Agnieszka, Leszczynski, Jerzy, Puzyn, Tomasz Predicting Physical Properties of Nanofluids by Computational Modeling (Journal Article) The Journal of Physical Chemistry C, 121 (3), pp. 1910–1917, 2017, ISSN: 1932-7447. (Links | BibTeX | Tags: ) @article{Sizochenko2017,
title = {Predicting Physical Properties of Nanofluids by Computational Modeling},
author = {Sizochenko, Natalia and Syzochenko, Michael and Gajewicz, Agnieszka and Leszczynski, Jerzy and Puzyn, Tomasz},
url = {http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.6b08850},
doi = {10.1021/acs.jpcc.6b08850},
issn = {1932-7447},
year = {2017},
date = {2017-01-01},
journal = {The Journal of Physical Chemistry C},
volume = {121},
number = {3},
pages = {1910--1917},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Gajewicz, A., Jagiello, K., Cronin, M. T. D., Leszczynski, J., Puzyn, T. Addressing a bottle neck for regulation of nanomaterials: quantitative read-across (Nano-QRA) algorithm for cases when only limited data is available (Journal Article) Environ. Sci.: Nano, 4 (2), pp. 346–358, 2017, ISSN: 2051-8153. (Links | BibTeX | Tags: ) @article{Gajewicz2017,
title = {Addressing a bottle neck for regulation of nanomaterials: quantitative read-across (Nano-QRA) algorithm for cases when only limited data is available},
author = {Gajewicz, A. and Jagiello, K. and Cronin, M. T. D. and Leszczynski, J. and Puzyn, T.},
url = {http://xlink.rsc.org/?DOI=C6EN00399K},
doi = {10.1039/C6EN00399K},
issn = {2051-8153},
year = {2017},
date = {2017-01-01},
journal = {Environ. Sci.: Nano},
volume = {4},
number = {2},
pages = {346--358},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
| Toropova, A.P., Toropov, A.A., Veselinović, A.M., Veselinović, J.B., Leszczynska, D., Leszczynski, J. Quasi-SMILES as a Novel Tool for Prediction of Nanomaterials′ Endpoints (Incollection) Multi-Scale Approaches in Drug Discovery, pp. 191–221, Elsevier, 2017. (Links | BibTeX | Tags: ) @incollection{Toropova2017,
title = {Quasi-SMILES as a Novel Tool for Prediction of Nanomaterials′ Endpoints},
author = {Toropova, A.P. and Toropov, A.A. and Veselinović, A.M. and Veselinović, J.B. and Leszczynska, D. and Leszczynski, J.},
url = {http://linkinghub.elsevier.com/retrieve/pii/B9780081011294000084},
doi = {10.1016/B978-0-08-101129-4.00008-4},
year = {2017},
date = {2017-01-01},
booktitle = {Multi-Scale Approaches in Drug Discovery},
pages = {191--221},
publisher = {Elsevier},
keywords = {},
pubstate = {published},
tppubtype = {incollection}
}
|
| Kar, Supratik, Roy, Kunal, Leszczynski, Jerzy On Applications of QSARs in Food and Agricultural Sciences: History and Critical Review of Recent Developments (Incollection) pp. 203–302, 2017. (Links | BibTeX | Tags: ) @incollection{Kar2017,
title = {On Applications of QSARs in Food and Agricultural Sciences: History and Critical Review of Recent Developments},
author = {Kar, Supratik and Roy, Kunal and Leszczynski, Jerzy},
url = {http://link.springer.com/10.1007/978-3-319-56850-8_7},
doi = {10.1007/978-3-319-56850-8_7},
year = {2017},
date = {2017-01-01},
pages = {203--302},
keywords = {},
pubstate = {published},
tppubtype = {incollection}
}
|
| Ahmed, Lucky, Rasulev, Bakhtiyor, Kar, Supratik, Krupa, Paweł, Mozolewska, Magdalena A., Leszczynski, Jerzy Inhibitors or toxins? Large library target-specific screening of fullerene-based nanoparticles for drug design purpose (Journal Article) Nanoscale, 9 (29), pp. 10263–10276, 2017, ISSN: 2040-3364. (Abstract | Links | BibTeX | Tags: ) @article{Ahmed2017,
title = {Inhibitors or toxins? Large library target-specific screening of fullerene-based nanoparticles for drug design purpose},
author = {Ahmed, Lucky and Rasulev, Bakhtiyor and Kar, Supratik and Krupa, Paweł and Mozolewska, Magdalena A. and Leszczynski, Jerzy},
url = {http://xlink.rsc.org/?DOI=C7NR00770A},
doi = {10.1039/C7NR00770A},
issn = {2040-3364},
year = {2017},
date = {2017-01-01},
journal = {Nanoscale},
volume = {9},
number = {29},
pages = {10263--10276},
abstract = {Fullerene-based nanoparticles have been the subject of vital interest due to their unique properties and potential application in many areas, including medicine.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Fullerene-based nanoparticles have been the subject of vital interest due to their unique properties and potential application in many areas, including medicine. |
