2022
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Pachpinde, S; HamsaPriya, M; Natarajan, U: Correction to: Molecular dynamics simulations of structure and dynamics in aqueous solution of neutral and ionized derivatives of poly(vinyl amine): methyl, n-propyl, and iso-propyl substitutions (Journal of Molecular Modeling, (2022), 28, 6, (151), 10.1007/s00894-022-05139-2). Journal of Molecular Modeling, 28 (7), 2022, ISSN: 16102940. (Type: Journal Article | Links | BibTeX)@article{Pachpinde2022,
title = {Correction to: Molecular dynamics simulations of structure and dynamics in aqueous solution of neutral and ionized derivatives of poly(vinyl amine): methyl, n-propyl, and iso-propyl substitutions (Journal of Molecular Modeling, (2022), 28, 6, (151), 10.1007/s00894-022-05139-2)},
author = {S Pachpinde and M HamsaPriya and U Natarajan},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85131338852&doi=10.1007%2fs00894-022-05169-w&partnerID=40&md5=e68c8aa2ecc554c1adb43eb8f51518db},
doi = {10.1007/s00894-022-05169-w},
issn = {16102940},
year = {2022},
date = {2022-01-01},
journal = {Journal of Molecular Modeling},
volume = {28},
number = {7},
publisher = {Springer Science and Business Media Deutschland GmbH},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
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Pachpinde, S; HamsaPriya, M; Natarajan, U: Molecular dynamics simulations of structure and dynamics in aqueous solution of neutral and ionized derivatives of poly(F): methyl, n-propyl, and isopropyl substitutions. Journal of Molecular Modeling, 28 (6), 2022, ISSN: 16102940. (Type: Journal Article | Links | BibTeX)@article{Pachpinde2022b,
title = {Molecular dynamics simulations of structure and dynamics in aqueous solution of neutral and ionized derivatives of poly(F): methyl, n-propyl, and isopropyl substitutions},
author = {S Pachpinde and M HamsaPriya and U Natarajan},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85130034036&doi=10.1007%2fs00894-022-05139-2&partnerID=40&md5=7346ed43b3a62e69eb1c1e35d24c80e1},
doi = {10.1007/s00894-022-05139-2},
issn = {16102940},
year = {2022},
date = {2022-01-01},
journal = {Journal of Molecular Modeling},
volume = {28},
number = {6},
publisher = {Springer Science and Business Media Deutschland GmbH},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
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Yerrayya, A; Natarajan, U; Vinu, R: Mechanistic Kinetic Analysis of Fast Pyrolysis of Vanillin to Primary Phenols. Frontiers in Energy Research, 10 , 2022, ISSN: 2296598X. (Type: Journal Article | Links | BibTeX)@article{Yerrayya2022,
title = {Mechanistic Kinetic Analysis of Fast Pyrolysis of Vanillin to Primary Phenols},
author = {A Yerrayya and U Natarajan and R Vinu},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85134807016&doi=10.3389%2ffenrg.2022.907505&partnerID=40&md5=c08de724d8270a753dd0d463861adfea},
doi = {10.3389/fenrg.2022.907505},
issn = {2296598X},
year = {2022},
date = {2022-01-01},
journal = {Frontiers in Energy Research},
volume = {10},
publisher = {Frontiers Media S.A.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
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Yerrayya, A; Nikunj, A; Prashanth, P F; Chakravarthy, S R; Natarajan, U; Vinu, R: Optimization of bio-crude yield and its calorific value from hydrothermal liquefaction of bagasse using methanol as co-solvent. Energy, 244 , 2022, ISSN: 03605442. (Type: Journal Article | Links | BibTeX)@article{Yerrayya2022b,
title = {Optimization of bio-crude yield and its calorific value from hydrothermal liquefaction of bagasse using methanol as co-solvent},
author = {A Yerrayya and A Nikunj and P F Prashanth and S R Chakravarthy and U Natarajan and R Vinu},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85123342661&doi=10.1016%2fj.energy.2022.123192&partnerID=40&md5=420015ef08bfcbcdc7c28dc8c6a632d1},
doi = {10.1016/j.energy.2022.123192},
issn = {03605442},
year = {2022},
date = {2022-01-01},
journal = {Energy},
volume = {244},
publisher = {Elsevier Ltd},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
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2021
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Kunche, L; Natarajan, U: Structure and dynamics of an aqueous solution containing poly-(acrylic acid) and non-ionic surfactant octaethylene glycoln-decyl ether (C10E8) aggregates and their complexes investigated by molecular dynamics simulations. Soft Matter, 17 (3), pp. 670-687, 2021, ISSN: 1744683X. (Type: Journal Article | Links | BibTeX)@article{Kunche2021670,
title = {Structure and dynamics of an aqueous solution containing poly-(acrylic acid) and non-ionic surfactant octaethylene glycoln-decyl ether (C10E8) aggregates and their complexes investigated by molecular dynamics simulations},
author = {L Kunche and U Natarajan},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85100266381&doi=10.1039%2fd0sm01322f&partnerID=40&md5=d73657ce4bd482f527e3d00d24c5db1b},
doi = {10.1039/d0sm01322f},
issn = {1744683X},
year = {2021},
date = {2021-01-01},
journal = {Soft Matter},
volume = {17},
number = {3},
pages = {670-687},
publisher = {Royal Society of Chemistry},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
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Pachpinde, S; Natarajan, U: Conformations, inter-molecular structure and hydrogen bond dynamics of neutral and cationic poly(vinyl amine) in aqueous solution. Molecular Simulation, 47 (16), pp. 1299-1312, 2021, ISSN: 08927022. (Type: Journal Article | Links | BibTeX)@article{Pachpinde20211299,
title = {Conformations, inter-molecular structure and hydrogen bond dynamics of neutral and cationic poly(vinyl amine) in aqueous solution},
author = {S Pachpinde and U Natarajan},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85114028502&doi=10.1080%2f08927022.2021.1968389&partnerID=40&md5=a89a0892e3c2321084a43676a4d54d39},
doi = {10.1080/08927022.2021.1968389},
issn = {08927022},
year = {2021},
date = {2021-01-01},
journal = {Molecular Simulation},
volume = {47},
number = {16},
pages = {1299-1312},
publisher = {Taylor and Francis Ltd.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
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Kunche, L; Natarajan, U: Structure and dynamics of aqueous solutions containing poly-(acrylic acid) and non-ionic surfactant pentaethylene glycol n-octyl ether (C8E5): A molecular simulations study. Computational Materials Science, 186 , 2021, ISSN: 09270256. (Type: Journal Article | Links | BibTeX)@article{Kunche2021,
title = {Structure and dynamics of aqueous solutions containing poly-(acrylic acid) and non-ionic surfactant pentaethylene glycol n-octyl ether (C8E5): A molecular simulations study},
author = {L Kunche and U Natarajan},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85090421652&doi=10.1016%2fj.commatsci.2020.110043&partnerID=40&md5=ab65013222345a1a6546770654a3dbda},
doi = {10.1016/j.commatsci.2020.110043},
issn = {09270256},
year = {2021},
date = {2021-01-01},
journal = {Computational Materials Science},
volume = {186},
publisher = {Elsevier B.V.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
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