Zobrazeno 1 - 10
of 62
pro vyhledávání: '"Kendall T. Thomson"'
Autor:
H. Ted Davis, Kendall T. Thomson
Designed for advanced engineering, physical science, and applied mathematics students, this innovative textbook is an introduction to both the theory and practical application of linear algebra and functional analysis. The book is self-contained, beg
Autor:
Jeffrey M. Switzer, James M. Caruthers, Nicholas E. Travia, W. Nicholas Delgass, Mahdi M. Abu-Omar, D. Keith Steelman, Grigori A. Medvedev, Kendall T. Thomson
Publikováno v:
Macromolecules. 45:4978-4988
Kinetic modeling using a population balance approach has been performed in order to identify a mechanism and a set of rate constants that describe the batch polymerization of 1-hexene by the homogeneous single-site catalyst Zr(tBu-ONNMe2O)Bn2 activat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::62a09195426445cf2506d45d2e305d0f
https://doi.org/10.1021/ma300129n
https://doi.org/10.1021/ma300129n
Autor:
Kendall T. Thomson, Shalini Sharma, Thomas A. Manz, Khamphee Phomphrai, Mahdi M. Abu-Omar, W. Nicholas Delgass, James M. Caruthers
Publikováno v:
Organometallics. 31:602-618
We have determined what makes the first monomer insertion (initiation) facile or slow for many homogeneous olefin polymerization catalysts. Specifically, we have developed the first comprehensive and mechanistically detailed quantitative structure–
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ddd8499fca6a90fd38e3a1eabca041d9
https://doi.org/10.1021/om200884x
https://doi.org/10.1021/om200884x
Autor:
Kendall T. Thomson, Yogesh V. Joshi, Pallassana S. Venkataraman, Prasenjeet Ghosh, W. Nicholas Delgass
Publikováno v:
The Journal of Physical Chemistry C. 113:9698-9709
A set of adsorption energies for all the reaction intermediates completely defines the reaction thermodynamics. Hence, it is important to quantitatively predict adsorption energies for a given system. Describing desulfurization catalysis via transiti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::85c25364f9d4467b3518b1827b348bdd
https://doi.org/10.1021/jp809981c
https://doi.org/10.1021/jp809981c
Autor:
Krista A. Novstrup, Shalini Sharma, Kendall T. Thomson, Grigori A. Medvedev, Andrew E. Fenwick, W. Nicholas Delgass, Khamphee Phomphrai, Mahdi M. Abu-Omar, Thomas A. Manz, Phillip E. Fanwick, James M. Caruthers
Publikováno v:
Organometallics. 27:5504-5520
A series of single-site catalysts with mixed cyclopentadienyl/aryloxide ligation were synthesized and used to polymerize 1-hexene. The effects of solvent, metal, counterion, and ligand structure were investigated by experiments and by DFT calculation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4d833ed6ff58a9dbf420075f5b520477
https://doi.org/10.1021/om8004993
https://doi.org/10.1021/om8004993
Autor:
Yogesh V. Joshi, Kendall T. Thomson
Publikováno v:
The Journal of Physical Chemistry C. 112:12825-12833
We extend our previous work (Joshi, Y. V.; Thomson, K. T. J. Catal. 2005, 230, 440) on H-ZSM-5 catalyzed cyclization of C6 diene using hybrid QM/MM method by studying cyclization of C7 and C8 dienes by 1,6 ring closing mechanism at the B3LYP/6-31g(d,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ff8d0d061604200f99fed39b51f261b1
https://doi.org/10.1021/jp712071k
https://doi.org/10.1021/jp712071k
Publikováno v:
The Journal of Physical Chemistry C. 112:12653-12662
We investigated the condensation and reverse hydrolysis reactions of several silica clusters ranging in size up to the octamer cage. Using density functional theory (DFT) at the B3LYP/6-31G(d,p) level of theory, we found that under neutral conditions
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4fddbd34aba381121b4f9d0967bc0f79
https://doi.org/10.1021/jp066534p
https://doi.org/10.1021/jp066534p
Publikováno v:
The Journal of Physical Chemistry C. 111:11888-11896
We present a quantum mechanics/molecular mechanics (QM/MM) analysis of interaction of Cu 1-5 clusters with nondefect and metal-vacancy defect versions of T6-Ti and T6-Si sites in TS-1. The clusters inside the TS-1 pores are significantly stabilized d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::717abd866ace11cd3e8c542518d61754
https://doi.org/10.1021/jp0707079
https://doi.org/10.1021/jp0707079
Publikováno v:
The Journal of Physical Chemistry C. 111:11424-11436
We report a two-layer, quantum mechanics/molecular mechanics analysis of CO adsorption on Au1-5 clusters located near T6-Ti-nondefect, T6-Si-nondefect, T6-Ti-defect, and T6-Si-defect sites in TS-1, augmented with thermochemistry at 298.15 K and 1 atm
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3489b4f2d2430e7a989b59b4024dee04
https://doi.org/10.1021/jp072833i
https://doi.org/10.1021/jp072833i