Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Nicolas D. Winter"'
Autor:
Amy J. Do, Nicolas D. Winter
Publikováno v:
Journal of Solution Chemistry. 50:894-919
In this work the photodissociation process for ICN in ethanol, a moderately polar solvent, was simulated using semi-classical molecular dynamics. Comparisons of the results with previous simulations of the photodissociation of ICN in highly polar and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::726290723c0b60436bbcce90ad3d9f8d
https://doi.org/10.1007/s10953-021-01094-3
https://doi.org/10.1007/s10953-021-01094-3
Autor:
Nicolas D. Winter
Publikováno v:
The Journal of Physical Chemistry B. 120:12371-12378
An effective three-body potential for the aqueous Be2+ ion has been constructed from a large number of high-level ab initio cluster calculations. The new potential was validated in subsequent molecular dynamics simulations of both gas phase ion–wat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3e374b648283131d11d44f126529c58d
https://doi.org/10.1021/acs.jpcb.6b08419
https://doi.org/10.1021/acs.jpcb.6b08419
Publikováno v:
Journal of Liposome Research. 21:106-115
A novel delivery system for the anticancer drug arsenic trioxide (ATO) is characterized. The release of ATO from DPPC liposomes with MPPC lysolipid incorporated into the bilayer is measured. There is negligible leakage of ATO from all systems at 25°
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a3747717e24bc62c5379bd49841c2829
https://doi.org/10.3109/08982104.2010.483597
https://doi.org/10.3109/08982104.2010.483597
Publikováno v:
The Journal of Physical Chemistry B. 112:10388-10398
This Centennial Feature Article provides an overview of research in the general area of self-assembly modeling, with particular emphasis on the self-assembly of molecules into soft nanoscale structures where the driving force for assembly is provided
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c8e1d8f59d3194e2d82b4118acf2fa9b
https://doi.org/10.1021/jp803192u
https://doi.org/10.1021/jp803192u
Autor:
Ilan Benjamin, Nicolas D. Winter
Publikováno v:
Israel Journal of Chemistry. 47:115-127
The ionic dissociation step of the nucleophilic substitution reaction: t-BuCl t-Bu+ + Cl− is studied at the water/dichloroethane (DCE) interface using molecular dynamics computer simulations. The t-BuCl is modeled using an empirical valence bond me
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d9eab22e4c3c10adcef37fc1eef8f9f5
https://doi.org/10.1560/ijc.47.1.115
https://doi.org/10.1560/ijc.47.1.115
Autor:
George C. Schatz, Nicolas D. Winter
Publikováno v:
The journal of physical chemistry. B. 114(15)
The enhanced permeability of flat lipid bilayer membranes at their gel to liquid-crystalline (LC) phase transition has been explored using coarse-grained molecular dynamics. The phase transition temperature, T(m), is deduced by monitoring the area pe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b8dba99d1e146c3b8862ef3da4337c45
https://pubmed.ncbi.nlm.nih.gov/20353246
https://pubmed.ncbi.nlm.nih.gov/20353246
Publikováno v:
ChemInform. 39
This Centennial Feature Article provides an overview of research in the general area of self-assembly modeling, with particular emphasis on the self-assembly of molecules into soft nanoscale structures where the driving force for assembly is provided
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a095e10176c4b19ed1109e103096362f
https://doi.org/10.1002/chin.200845273
https://doi.org/10.1002/chin.200845273
Publikováno v:
The journal of physical chemistry. B. 112(2)
Molecular dynamics computer simulations are used to study hydrogen-bond structure and dynamics at the interface between water and carboxylic acid-functionalized self-assembled monolayers (CAFSAMs). Water-water, water-CAFSAM, and internal CAFSAM hydro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f9c09a5cc9e89576075ced9f70f2f1d1
https://pubmed.ncbi.nlm.nih.gov/17672497
https://pubmed.ncbi.nlm.nih.gov/17672497
Autor:
Ilan Benjamin, Christopher A. Rivera, Nicolas D. Winter, Rachael V. Harper, Stephen E. Bradforth
Publikováno v:
Physical Chemistry Chemical Physics. 13:8269
The ICN photodissociation reaction is the prototype system for understanding energy disposal and curve crossing in small molecule bond-breaking. The wide knowledge base on this reaction in the gas phase makes it an excellent test case to explore and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8d33d2200d06d3777a1cd2b457efb83a
https://doi.org/10.1039/c1cp20252a
https://doi.org/10.1039/c1cp20252a
Publikováno v:
Journal of Physical Chemistry B; Aug2008, Vol. 112 Issue 34, p10388-10398, 11p