Zobrazeno 1 - 10
of 41
pro vyhledávání: '"Varinia Bernales"'
Autor:
Julia Oktawiec, Henry Z. H. Jiang, Jenny G. Vitillo, Douglas A. Reed, Lucy E. Darago, Benjamin A. Trump, Varinia Bernales, Harriet Li, Kristen A. Colwell, Hiroyasu Furukawa, Craig M. Brown, Laura Gagliardi, Jeffrey R. Long
Publikováno v:
Nature Communications, Vol 11, Iss 1, Pp 1-11 (2020)
Oxygen capture is attractive for catalysis, sensing, and separations, but engineering stable and selective adsorbents is challenging. Here the authors combine metal-based electron transfer with secondary coordination sphere effects in a metal-organic
Externí odkaz:
https://doaj.org/article/95971025db63432eb25b0d9df76d92af
Autor:
Varinia Bernales, Manuel A. Ortuño, Donald G. Truhlar, Christopher J. Cramer, Laura Gagliardi
Publikováno v:
ACS Central Science, Vol 4, Iss 1, Pp 5-19 (2017)
Recent progress in the synthesis and characterization of metal–organic frameworks (MOFs) has opened the door to an increasing number of possible catalytic applications. The great versatility of MOFs creates a large chemical space, whose thorough ex
Externí odkaz:
https://doaj.org/article/99dd728d51fa4b2ba52e12552750aa9c
Autor:
Zhanyong Li, Aaron W. Peters, Varinia Bernales, Manuel A. Ortuño, Neil M. Schweitzer, Matthew R. DeStefano, Leighanne C. Gallington, Ana E. Platero-Prats, Karena W. Chapman, Christopher J. Cramer, Laura Gagliardi, Joseph T. Hupp, Omar K. Farha
Publikováno v:
ACS Central Science, Vol 3, Iss 1, Pp 31-38 (2016)
Externí odkaz:
https://doaj.org/article/b90874753f0e4ac5a083f785663f7067
Autor:
Kevin Lawry, Varinia Bernales, Jeffrey Cogen, Daniel Davies, Kyoungmoo Koh, John Kramer, Dakai Ren, Mark Rickard, Tanya Singh‐Rachford, Yabin Sun, Thomas Peterson
Publikováno v:
Journal of Physical Organic Chemistry. 35
Publikováno v:
Physical Chemistry Chemical Physics. 22:1847-1854
Actinyl ions can self-assemble in aqueous solution to form closed cage clusters ranging from 1.5 to 4.0 nm in diameter. The self-assembly, stability, and behavior of the nanoclusters depend on the nature of the aqueous environment, such as the pH and
Autor:
Shengfa Ye, Connie C. Lu, Kyle M. Lancaster, Laura Gagliardi, Maxime Tarrago, Varinia Bernales, James T. Moore, Sudipta Chatterjee, Laura J. Clouston, Stephen Sproules, Eckhard Bill
Publikováno v:
Inorganic Chemistry
Previously, we reported the synthesis of Ti[N(o-(NCH2P(iPr)2)C6H4)3] and the Fe–Ti complex, FeTi[N(o-(NCH2P(iPr)2)C6H4)3], abbreviated as TiL (1), and FeTiL (2), respectively. Herein, we describe the synthesis and characterization of the complete r
Autor:
Harriet Li, Benjamin A. Trump, Jeffrey R. Long, Douglas A. Reed, Laura Gagliardi, Kristen A. Colwell, Henry Z. H. Jiang, Craig M. Brown, Julia Oktawiec, Varinia Bernales, Lucy E. Darago, Jenny G. Vitillo, Hiroyasu Furukawa
Publikováno v:
Nature communications, vol 11, iss 1
Nature Communications
Nature Communications, Vol 11, Iss 1, Pp 1-11 (2020)
Nature Communications
Nature Communications, Vol 11, Iss 1, Pp 1-11 (2020)
The design of stable adsorbents capable of selectively capturing dioxygen with a high reversible capacity is a crucial goal in functional materials development. Drawing inspiration from biological O2 carriers, we demonstrate that coupling metal-based
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::126d076f6a9fdcb95b059afc2bcccf8e
https://escholarship.org/uc/item/8kq9s5s2
https://escholarship.org/uc/item/8kq9s5s2
Autor:
Robert D. J. Froese, Varinia Bernales
Publikováno v:
Journal of Computational Chemistry. 40:342-348
DFT and CCSD(T) methods were used to examine 61 different rhodium catalysts for the hydroformylation of ethylene. The carbon monoxide (CO) stretching frequency was a key electronic parameter to understand the π-accepting nature of the ligand. Normal
Autor:
Rachel B. Getman, Peilin Liao, Randall Q. Snurr, Steven Pellizzeri, Melissa Barona, Laura Gagliardi, Varinia Bernales, Pere Miró
Publikováno v:
Catalysis Today. 312:149-157
Six first-row transition metal cations (Mn2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+) were evaluated as catalysts for ethene dimerization to 1-butene. This is an important reaction in the chemistry of C C bond formation and in the conversion of natural gas to
Autor:
Christopher J. Cramer, Laura Gagliardi, Aditya Bhan, Matthew C. Simons, Varinia Bernales, Manuel A. Ortuño, Carlo Alberto Gaggioli
Publikováno v:
ACS Catalysis. 8:2864-2869
Cluster-based density functional theory calculations show that energy barriers for the dissociative adsorption of propane on two-cation, Co-M oxide clusters supported on Zr-based nodes of NU-1000, a metal–organic framework material, vary from 57 to