• 542 Citations
  • 13 h-Index
20082019

Research output per year

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Research Output

  • 542 Citations
  • 13 h-Index
  • 43 Article
  • 1 Conference contribution
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Article
2019

Computational investigation of the performance of ZIF-8 with encapsulated ionic liquids towards CO2 capture*

Mohamed, A. M. O., Moncho, S., Krokidas, P., Kakosimos, K., Brothers, E. N. & Economou, I. G., 1 Jan 2019, (Accepted/In press) In : Molecular Physics.

Research output: Contribution to journalArticle

Green Light-Responsive CO-Releasing Polymeric Materials Derived from Ring-Opening Metathesis Polymerization

Gandra, U. R., Sinopoli, A., Moncho Escriva, S., Nandakumar, M., Ninković, D. B., Zarić, S. D., Sohail, M., Al-Meer, S., Brothers, E., Mazloum, N., Al-Hashimi, M. & Bazzi, H. S., 1 Jan 2019, (Accepted/In press) In : ACS Applied Materials and Interfaces.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Thermal Dehydrogenation of Dimethylamine Borane Catalyzed by a Bifunctional Rhenium Complex

Yempally, V., Moncho Escriva, S., Wang, Y., Kyran, S. J., Fan, W. Y., Brothers, E., Darensbourg, D. J. & Bengali, A. A., 1 Jan 2019, In : Organometallics.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Tunable model promoters in DFT simulations of catalysts

Mahler, A., Panno, K., Janesko, B. G., Moncho, S. & Brothers, E. N., 15 Jul 2019, In : Journal of Computational Chemistry. 40, 19, p. 1752-1757 6 p.

Research output: Contribution to journalArticle

2018

On the Efficient Separation of Gas Mixtures with the Mixed-Linker Zeolitic-Imidazolate Framework-7-8

Krokidas, P., Moncho Escriva, S., Brothers, E., Castier, M., Jeong, H. K. & Economou, I., 21 Nov 2018, In : ACS Applied Materials and Interfaces. 10, 46, p. 39631-39644 14 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)

Reversible Olefin Addition to Extended Lattices of a Nickel-Selenium Framework

Sredojević, D. N., Moncho, S., Raju, R. K., Belić, M. R. & Brothers, E. N., 4 Oct 2018, In : Journal of Physical Chemistry C. 122, 39, p. 22424-22434 11 p.

Research output: Contribution to journalArticle

Ring opening metathesis polymerization (ROMP) and thio-bromo “click” chemistry approach toward the preparation of flame-retardant polymers

Grubb, J., Carosio, F., Vasireddy, M., Moncho, S., Brothers, E. N. & Hobbs, C. E., 15 Mar 2018, In : Journal of Polymer Science, Part A: Polymer Chemistry. 56, 6, p. 645-652 8 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)
11 Citations (Scopus)
7 Citations (Scopus)
2017

Ancillary Ligand Effects upon the Photochemistry of Mn(bpy)(CO)3X Complexes (X = Br-, PhCC-)

Yempally, V., Moncho Escriva, S., Hasanayn, F., Fan, W. Y., Brothers, E. & Bengali, A. A., 18 Sep 2017, In : Inorganic Chemistry. 56, 18, p. 11244-11253 10 p.

Research output: Contribution to journalArticle

8 Citations (Scopus)

Detection of an unusual intermediate in the photolysis of an iron tricarbonyl complex

Anju, R. S., Moncho Escriva, S., Brothers, E., Fan, W. Y., Madrahimov, S. & Bengali, A. A., 1 Jan 2017, In : Journal of Organometallic Chemistry. 851, p. 189-193 5 p.

Research output: Contribution to journalArticle

Methane Activations by Titanium Neopentylidene Complexes: Electronic Resilience and Steric Control

Ninković, D. B., Moncho Escriva, S., Petrović, P. V., Zarić, S. D., Hall, M. B. & Brothers, E., 7 Aug 2017, In : Inorganic Chemistry. 56, 15, p. 9264-9272 9 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)
18 Citations (Scopus)
6 Citations (Scopus)
2016

Carbon-hydrogen bond activation by a titanium neopentylidene complex

Ninković, D. B., Moncho Escriva, S., Petrović, P. V., Zarić, S. D., Hall, M. B. & Brothers, E., 2 Jul 2016, In : Journal of Coordination Chemistry. 69, 11-13, p. 1759-1768 10 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)

Catalysis and Mechanism of H2 Release from Amine-Boranes by Diiron Complexes

Lunsford, A. M., Blank, J. H., Moncho Escriva, S., Haas, S. C., Sohail, M., Brothers, E., Darensbourg, M. Y. & Bengali, A. A., 19 Jan 2016, In : Inorganic Chemistry. 55, 2, p. 964-973 10 p.

Research output: Contribution to journalArticle

25 Citations (Scopus)

Computational Study of the Palladium-Catalyzed Carbonylative Synthesis of Aromatic Acid Chlorides: The Synergistic Effect of PtBu3and CO on Reductive Elimination

Quesnel, J. S., Moncho Escriva, S., Ylijoki, K. E. O., Torres, G. M., Brothers, E., Bengali, A. A. & Arndtsen, B. A., 2016, In : Chemistry - A European Journal. 22, 42, p. 15107-15118 12 p.

Research output: Contribution to journalArticle

13 Citations (Scopus)

Ligand Displacement Reaction Paths in a Diiron Hydrogenase Active Site Model Complex

Blank, J. H., Moncho Escriva, S., Lunsford, A. M., Brothers, E., Darensbourg, M. Y. & Bengali, A. A., 2016, In : Chemistry - A European Journal. 22, 36, p. 12752-12760 9 p.

Research output: Contribution to journalArticle

Mechanism of Ethylene Addition to Nickel Bis(oxothiolene) and Nickel Bis(dioxolene) Complexes

Sredojevic, D. N., Raju, R. K., Moncho Escriva, S. & Brothers, E., 29 Sep 2016, In : Journal of Physical Chemistry A. 120, 38, p. 7561-7568 8 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)

Nickel Bis(diselenolene) as a Catalyst for Olefin Purification

Raju, R. K., Sredojevic, D. N., Moncho Escriva, S. & Brothers, E., 17 Oct 2016, In : Inorganic Chemistry. 55, 20, p. 10182-10191 10 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)
10 Citations (Scopus)

ZIF-67 Framework: A Promising New Candidate for Propylene/Propane Separation. Experimental Data and Molecular Simulations

Krokidas, P., Castier, M., Moncho Escriva, S., Sredojevic, D. N., Brothers, E., Kwon, H. T., Jeong, H. K., Lee, J. S. & Economou, I., 5 May 2016, In : Journal of Physical Chemistry C. 120, 15, p. 8116-8124 9 p.

Research output: Contribution to journalArticle

59 Citations (Scopus)
2015
3 Citations (Scopus)

Molecular Simulation Studies of the Diffusion of Methane, Ethane, Propane, and Propylene in ZIF-8

Krokidas, P., Castier, M., Moncho Escriva, S., Brothers, E. & Economou, I., 9 Nov 2015, In : Journal of Physical Chemistry C. 119, 48, p. 27028-27037 10 p.

Research output: Contribution to journalArticle

47 Citations (Scopus)

Simulating periodic trends in the structure and catalytic activity of coinage metal nanoribbons

Determan, J. J., Moncho Escriva, S., Brothers, E. & Janesko, B. G., 1 Dec 2015, In : International Journal of Quantum Chemistry. 115, 24, p. 1718-1725 8 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)
2014

Dehydrogenation of a tertiary amine-borane by a rhenium complex

Muhammad, S., Moncho, S., Brothers, E. N. & Bengali, A. A., 4 Jun 2014, In : Chemical Communications. 50, 44, p. 5874-5877 4 p.

Research output: Contribution to journalArticle

16 Citations (Scopus)

Oxidative addition of haloalkanes to metal centers: A mechanistic investigation

Yempally, V., Moncho, S., Muhammad, S., Brothers, E. N., Arndtsen, B. A. & Bengali, A. A., 14 Jul 2014, In : Organometallics. 33, 13, p. 3591-3595 5 p.

Research output: Contribution to journalArticle

13 Citations (Scopus)
6 Citations (Scopus)
2013

A benchmark study of H2 activation by Au3 and Ag 3 clusters

Moncho, S., Brothers, E. N. & Janesko, B. G., 18 Apr 2013, In : Journal of Physical Chemistry C. 117, 15, p. 7487-7496 10 p.

Research output: Contribution to journalArticle

14 Citations (Scopus)

Cyclopalladation and reactivity of amino esters through C - H bond activation: Experimental, kinetic, and density functional theory mechanistic studies

Laga, E., García-Montero, A., Sayago, F. J., Soler, T., Moncho, S., Cativiela, C., Martínez, M. & Urriolabeitia, E. P., 16 Dec 2013, In : Chemistry - A European Journal. 19, 51, p. 17398-17412 15 p.

Research output: Contribution to journalArticle

25 Citations (Scopus)

Estimating the strength of the M-H-B interaction: A kinetic approach

Sohail, M., Moncho, S., Brothers, E. N., Darensbourg, D. J. & Bengali, A. A., 6 May 2013, In : Dalton Transactions. 42, 19, p. 6720-6723 4 p.

Research output: Contribution to journalArticle

7 Citations (Scopus)

Light-enhanced displacement of methyl acrylate from iron carbonyl: Investigation of the reactive intermediate via rapid-scan fourier transform infrared and computational studies

Muhammad, S., Moncho, S., Li, B., Kyran, S. J., Brothers, E. N., Darensbourg, D. J. & Bengali, A. A., 4 Nov 2013, In : Inorganic Chemistry. 52, 21, p. 12655-12660 6 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Reactions of gold(III) complexes with alkenes in aqueous media: Generation of bis-(β-hydroxyalkyl)gold(III) complexes

Rezsnyak, C. E., Autschbach, J., Atwood, J. D. & Moncho, S., 28 May 2013, In : Journal of Coordination Chemistry. 66, 7, p. 1153-1165 13 p.

Research output: Contribution to journalArticle

10 Citations (Scopus)
2012

Mechanism of CO displacement from an unusually labile rhenium complex: An experimental and theoretical investigation

Muhammad, S., Yempally, V., Anas, M., Moncho, S., Kyran, S. J., Brothers, E. N., Darensbourg, D. J. & Bengali, A. A., 3 Dec 2012, In : Inorganic Chemistry. 51, 23, p. 13041-13049 9 p.

Research output: Contribution to journalArticle

11 Citations (Scopus)

Time resolved infrared spectroscopy: Kinetic studies of weakly binding ligands in an iron-iron hydrogenase model compound

Muhammad, S., Moncho, S., Brothers, E. N., Darensbourg, M. Y., Darensbourg, D. J. & Bengali, A. A., 2 Jul 2012, In : Inorganic Chemistry. 51, 13, p. 7362-7369 8 p.

Research output: Contribution to journalArticle

7 Citations (Scopus)
2010

Molecular orbital analysis of the inverse halogen dependence of nuclear magnetic shielding in LaX3, X = F, Cl, Br, i

Moncho, S. & Autschbach, J., 1 Dec 2010, In : Magnetic Resonance in Chemistry. 48, SUPPL. 1, p. S76-S85

Research output: Contribution to journalArticle

16 Citations (Scopus)

Proton-transfer reactions to half-sandwich ruthenium trihydride complexes bearing hemilabile P,N ligands: Experimental and density functional theory studies

Jiménez-Tenorio, M., Puerta, C., Valerga, P., Moncho, S., Ujaque, G. & Lledós, A., 19 Jul 2010, In : Inorganic Chemistry. 49, 14, p. 6035-6057 23 p.

Research output: Contribution to journalArticle

25 Citations (Scopus)
49 Citations (Scopus)
2009

Experimental and computational studies on the iridium activation of aliphatic and aromatic C-H bonds of alkyl aryl ethers and related molecules

Lara, P., Paneque, M., Poveda, M. L., Santos, L. L., Valpuesta, J. E. V., Carmona, E., Moncho, S., Ujaque, G., Lledós, A., Alvarez, E. & Mereiter, K., 14 Sep 2009, In : Chemistry - A European Journal. 15, 36, p. 9034-9045 12 p.

Research output: Contribution to journalArticle

25 Citations (Scopus)

Synthetic, mechanistic, and theoretical studies on the generation of iridium hydride alkylidene and iridium hydride alkene isomers

Lara, P., Paneque, M., Poveda, M. L., Santos, L. L., Valpuesta, J. E. V., Salazar, V., Carmona, E., Moncho, S., Ujaque, G., Lledós, A., Maya, C. & Mereiter, K., 14 Sep 2009, In : Chemistry - A European Journal. 15, 36, p. 9046-9057 12 p.

Research output: Contribution to journalArticle

24 Citations (Scopus)

The role of amide ligands in the stabilization of Pd(II) tricoordinated complexes: Is the Pd-NR2 bond order single or higher?

Moncho, S., Ujaque, G., Espinet, P., Maseras, F. & Lledós, A., 1 May 2009, In : Theoretical Chemistry Accounts. 123, 1-2, p. 75-84 10 p.

Research output: Contribution to journalArticle

8 Citations (Scopus)
2008

When are tricoordinated PdII species accessible? stability trends and mechanistic consequences

Moncho, S., Ujaque, G., Lledós, A. & Espinet, P., 10 Oct 2008, In : Chemistry - A European Journal. 14, 29, p. 8986-8994 9 p.

Research output: Contribution to journalArticle

44 Citations (Scopus)