Zobrazeno 1 - 10
of 28
pro vyhledávání: '"Joey W. Storer"'
Autor:
David J. Frurip, Anne M. Chaka, Martin Schiller, Joseph T. Golab, Fiona Case, Russell D. Johnson, Joey W. Storer, Jonathan Moore, James D. Olson, Raymond D. Mountain, Daniel G. Friend
Publikováno v:
Fluid phase equilibria. (25)
The Ninth Industrial Fluid Properties Simulation Challenge aimed to test the ability of molecular modeling approaches to predict water/oil interfacial tension (IFT) at conditions of high temperature and pressure. In particular, the challenge featured
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f74d47f804994a215b104c1015881d9a
https://pubmed.ncbi.nlm.nih.gov/30983688
https://pubmed.ncbi.nlm.nih.gov/30983688
Autor:
Sweta Somasi, Antonios K. Doufas, Jonathan Moore, Valeriy V. Ginzburg, Joey W. Storer, Madan Somasi, Sudhakar Balijepalli, Tom Verbrugge, Jozef Bicerano
Publikováno v:
Journal of Macromolecular Science, Part C: Polymer Reviews. 44:53-85
Polymer modeling plays a vital role in industrial product and process development. Polymer modeling is an integral component of the research and development paradigm at The Dow Chemical Company. The integrated multidisciplinary and multiscale modelin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::41cb6becb8e6297568961e5ee8c2208d
https://doi.org/10.1081/mc-120027934
https://doi.org/10.1081/mc-120027934
Autor:
Mark H. McAdon, Joey W. Storer, Richard P. Muller, Mike Mullins, William A. Goddard, Dean M. Philipp
Publikováno v:
Journal of the American Chemical Society. 124:10198-10210
Taking Pd di-imine catalysts as an example, we use first principles density functional theory (B3LYP/6-31G*) to investigate the chain propagation steps for polymerization of polar monomers. We start with the complex formed from insertion of ethylene
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b9d062904cbfce873e4c498cc5e2f795
https://doi.org/10.1021/ja0157705
https://doi.org/10.1021/ja0157705
Publikováno v:
Journal of Computational Chemistry. 19:1111-1129
The relative energies of 11 different conformers of D-glucose, including different exo-anomeric orientations and at least one of each hydroxymethyl conformer (G−, G+, and T) for each of the two anomeric forms (α and β), were calculated at much mo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::80cbde65ac5bebbe528efb1c61ed2b96
https://doi.org/10.1002/(sici)1096-987x(19980730)19:10<1111::aid-jcc1>3.0.co
https://doi.org/10.1002/(sici)1096-987x(19980730)19:10<1111::aid-jcc1>3.0.co
Publikováno v:
Journal of the American Chemical Society. 117:1057-1068
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5f7b66116e4d0d2eef49d84b77859467
https://doi.org/10.1021/ja00108a023
https://doi.org/10.1021/ja00108a023
Publikováno v:
Journal of the American Chemical Society. 116:9675-9683
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::42e43b6386638cdf5b3d48ac5c4f58c5
https://doi.org/10.1021/ja00100a037
https://doi.org/10.1021/ja00100a037
Publikováno v:
The Journal of Organic Chemistry. 59:1835-1843
Properties of various oxyphosphoranes such as neutral pentahydroxyphosphorane (doubly protonated 3b) and dianionic trihydroxyphosphorane (3b) and trimethoxyphosphorane (3a) were examined by ab initio molecular orbital calculations. The energies of th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c03a77d1cedf80bcdb42bc7ece3772c1
https://doi.org/10.1021/jo00086a039
https://doi.org/10.1021/jo00086a039
Publikováno v:
Chemical Physics Letters. 218:387-394
MRCISD(Q)/CASSCF calculations have been performed for the title dihydrides. The agreement with available experimental data is quite good for the 1 A 1 - 3 B 1 singlet—triplet (S—T) energy gaps, as is agreement with other calculations of similar q
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6aa2c83f7949101e2365b92775f7bac0
https://doi.org/10.1016/0009-2614(94)00030-1
https://doi.org/10.1016/0009-2614(94)00030-1
Autor:
Joey W. Storer, K. N. Houk
Publikováno v:
ChemInform. 23
MM3 energies of triquinacene and di-, tetra-, and perhydrotriquinacene are in reasonable accord with the thermochemical measurements reported by Liebman, Paquette, Peterson, and Rogers (J. Am. Chem. Soc. 1986, 108, 8267). An analysis of theoptimized
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b7e853510f43e4bbb836031f9957a222
https://doi.org/10.1002/chin.199221049
https://doi.org/10.1002/chin.199221049
Autor:
Gillian C. Lynch, Gregory D. Hawkins, Joey W. Storer, David J. Giesen, Donald G. Truhlar, Daniel Liotard, Christopher J. Cramer
Publikováno v:
ChemInform. 26
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::54eec0fc6da825c050af1d66dd59b51f
https://doi.org/10.1002/chin.199506307
https://doi.org/10.1002/chin.199506307