Zobrazeno 1 - 10
of 14
pro vyhledávání: '"Apramita Chand"'
Publikováno v:
Chemical Physics Impact, Vol 8, Iss , Pp 100448- (2024)
We have performed classical molecular dynamics simulation of aqueous cis/trans-N-methylformamide (NMF) systems in the presence of urea at 298 K by considering the Smith and Duffy models of urea with varying concentrations, ranging from 0 to 13.26 m.
Externí odkaz:
https://doaj.org/article/6a937912917c4467b345bcf8b1628847
Publikováno v:
Journal of Molecular Liquids. 361:119610
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::582995b4ddbc1b2cb81fccbc989a4026
https://doi.org/10.1016/j.molliq.2022.119610
https://doi.org/10.1016/j.molliq.2022.119610
Autor:
Apramita Chand, Himansu S. Biswal
Publikováno v:
Journal of the Indian Institute of Science. 100:77-100
Compared to conventional hydrogen bonds like (O–H···N, N–H···O, O–H···O, N–H···N), hydrogen bonds involving heavier chalcogens like sulfur, selenium, and tellurium have been considered weaker owing to less electronegativity of the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0c65660036a204d1edfa77897d873031
https://doi.org/10.1007/s41745-019-00140-w
https://doi.org/10.1007/s41745-019-00140-w
Publikováno v:
NATIONAL CONFERENCE ON PHYSICS AND CHEMISTRY OF MATERIALS: NCPCM2020.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1347025cb299f64cffce7ce49767e13d
https://doi.org/10.1063/5.0061203
https://doi.org/10.1063/5.0061203
Publikováno v:
Accounts of chemical research. 53(8)
Hydrogen bonds (H-bonds) play important roles in imparting functionality to the basic molecules of life by stabilizing their structures and directing their interactions. Numerous studies have been devoted to understanding H-bonds involving highly ele
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3d1a5d6c1bedb3fb092e22a3cddeaa01
https://pubmed.ncbi.nlm.nih.gov/32677432
https://pubmed.ncbi.nlm.nih.gov/32677432
Publikováno v:
Journal of Molecular Liquids. 269:241-251
Classical molecular dynamics simulations have been carried out to investigate dynamical properties of cis-trans mixture of liquid N-methylformamide at eight different temperatures (278–423 K) and four pressures ranging from 0.1 MPa to 300 MPa. At 2
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b28a76eb9ed235038d2a432a56cab278
https://doi.org/10.1016/j.molliq.2018.08.012
https://doi.org/10.1016/j.molliq.2018.08.012
Autor:
Snehasis Chowdhuri, Apramita Chand
Publikováno v:
Journal of Molecular Liquids. 242:70-81
A comparison of effects of addition of TMAO on the hydrogen bonding structure and dynamics in aqueous urea solution of three different amides (formamide-FA, N-methylformamide-NMF, N-methylacetamide-NMA), have been carried out with the help of classic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0764558b1bcf77d6800d8eb00b9f1e8f
https://doi.org/10.1016/j.molliq.2017.06.121
https://doi.org/10.1016/j.molliq.2017.06.121
Publikováno v:
Journal of Molecular Liquids. 225:926-935
We have performed the molecular dynamics simulations study to investigate the interaction of different force-field parameters of trimethylamine-N-oxide (TMAO) with aqueous solution of N-methylacetamide (NMA). We have calculated the number and energie
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::37a337138667a0d73fe55cb677a287b9
https://doi.org/10.1016/j.molliq.2016.05.044
https://doi.org/10.1016/j.molliq.2016.05.044
Autor:
Snehasis Chowdhuri, Apramita Chand
Publikováno v:
Journal of Molecular Liquids. 224:1370-1379
Effects of ethanol (EtOH) and 2,2,2-trifluoroethanol (TFE) on the hydrogen bonding structure and dynamics in aqueous N -methylacetamide (NMA) solution are investigated by classical molecular dynamics simulations. The interactions between NMA and wate
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2c11cdf0462b492703db4367ee45e4b5
https://doi.org/10.1016/j.molliq.2016.10.129
https://doi.org/10.1016/j.molliq.2016.10.129
Autor:
Apramita Chand, Snehasis Chowdhuri
School of Basic Sciences, Indian Institute of Technology, Bhubaneswar-752 050, Odisha, India E-mail: snehasis@iitbbs.ac.in Manuscript received online 08 May 2019, revised and accepted 22 May 2019 We have explored the effects of variation of pressure
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::42522b6f638254ab35cd071e26cfaa3e
