Zobrazeno 1 - 10
of 16
pro vyhledávání: '"Jennifer M. Elward"'
Autor:
Mark A. Bobko, Jennifer M. Elward, B. Narasimhulu Naidu, Yexenia E. Nieves-Quinones, Christopher A. Reiher, Qiaogong Su, Liang Sun, John Woodard, Shiping Xie, Wuxing Yang, Yunxing Yin
Publikováno v:
Organic Process Research & Development. 27:217-226
Autor:
Jennifer M. Crawford, Tobias Gensch, Matthew S. Sigman, Jennifer M. Elward, Janelle E. Steves
Publikováno v:
Organic Process Research & Development. 26:1115-1123
Autor:
Gerald J. Tanoury, Yuriy A. Abramov, Ravi S. Ananthula, Antonio Ramirez, Lori R. Hilden, Jennifer M. Elward, Per-Ola Norrby, Edward C. Sherer, Sten O. Nilsson Lill, Jason Mustakis, Yu-hong Lam
Publikováno v:
Organic Process Research & Development. 24:1496-1507
Application of computational methods to understanding and predicting properties of analogues for drug discovery has enjoyed a long history of success. However, the drug development space (post-cand...
Autor:
Joseph, Becica, Damian P, Hruszkewycz, Janelle E, Steves, Jennifer M, Elward, David C, Leitch, Graham E, Dobereiner
Publikováno v:
Organic letters. 21(22)
Through targeted high-throughput experimentation (HTE), we have identified the Pd/AdBippyPhos catalyst system as an effective and general method to construct densely functionalized
Publikováno v:
Molecular Systems Design & Engineering. 3:485-495
We present a deterministic optimization procedure of molecular properties that ensures diverse coverage of the given chemical compound search space. Diversity is ensured by enriching the set of computed molecules by candidates which maximize the dist
Publikováno v:
The Journal of Physical Chemistry C. 120:24999-25009
Semiconductor nanoparticles (NPs) are a class of nanoscopic materials with highly tunable optical and electronic properties. The electronic density of states of these NPs depends strongly on both shape and size and has allowed semiconductor NPs to be
Autor:
Graham E. Dobereiner, David C. Leitch, Janelle E. Steves, Damian P. Hruszkewycz, Joseph Becica, Jennifer M. Elward
Sulfonamides are poor nucleophiles in Pd C-N coupling catalysis, hindering synthesis of densely-functionalized N,N-diaryl sulfonamide motifs relevant to medicinal chemistry. Through targeted high-throughput experimentation (HTE), we have identified t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3234f6f5f98b98c9e73e3da475ed7456
https://doi.org/10.26434/chemrxiv.9108461.v2
https://doi.org/10.26434/chemrxiv.9108461.v2
Autor:
David C. Leitch, Joseph Becica, Jennifer M. Elward, Graham E. Dobereiner, Janelle E. Steves, Damian P. Hruszkewycz
Sulfonamides are poor nucleophiles in Pd C-N coupling catalysis, hindering synthesis of densely-functionalized N,N-diaryl sulfonamide motifs relevant to medicinal chemistry. Through targeted high-throughput experimentation (HTE), we have identified t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cde1870679838312a7366f798a76dc21
https://doi.org/10.26434/chemrxiv.9108461.v1
https://doi.org/10.26434/chemrxiv.9108461.v1
Publikováno v:
Journal of Chemical Theory and Computation. 11:462-471
Presence of heterojunctions is important for generation of free charge carriers and the dissociation of bound electron-hole pairs in semiconductor nanoparticles. This work presents a theoretical investigation of the effect of core/shell heterojunctio
Publikováno v:
Physical Chemistry Chemical Physics. 17:24322-24335
Several algorithms for optimizing a combinatorial subspace of chemical compound space with constraints are compared. The test system is a library of organic chromophores for electro-optic applications. The constraints on the optimization include the