Results: 547
Sylwia E. Kutniewska, Katarzyna N. Jarzembska, Radosław Kamiński, Anton J. Stasyuk, Daniel T. Gryko, Michał K. Cyrański
Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2′-hydroxyphenyl)imidazo[1,2-a ]pyridines and 1,2-phenylenediboronic acid
Acta Crystallogr Sect B Struct Sci, 2018, 74, 725-737
DOI: 10.1107/S2052520618015469
Verònica Postils, Carlos Delgado-Alonso, Josep M. Luis, Pedro Salvador
An Objective Alternative to IUPAC’s Approach to Assign Oxidation States
Angew. Chem. Int. Ed., 2018, 57, 10525-10529
DOI: 10.1002/anie.201802745Keywords: Chemical bonding, Method development, Organometallics, Real-space analysis
Luis Miguel Azofra, Natalia Morlanés, Albert Poater, Manoja K. Samantaray, Balamurugan Vidjayacoumar, Khalid Albahily, Luigi Cavallo, Jean-Marie Basset
Single-Site Molybdenum on Solid Support Materials for Catalytic Hydrogenation of N2 -into-NH3
Angew. Chem. Int. Ed., 2018, 57, 15812-15816
DOI: 10.1002/anie.201810409Keywords: Catalysis, Computational chemistry, Density Functional Theory, Predictive Chemistry, Reaction mechanisms
Chongwei Zhu, Albert Poater, Carine Duhayon, Brice Kauffmann, Alix Saquet, Valérie Maraval, Remi Chauvin
Carbo -biphenyls andCarbo -terphenyls: Oligo(phenylene ethynylene) RingCarbo -mers
Angew. Chem. Int. Ed., 2018, 57, 5640-5644
DOI: 10.1002/anie.201713411Keywords: Aromaticity, Computational chemistry, Density Functional Theory, Molecular similarity, Supramolecular chemistry
Anna Pla-Quintana, Anna Roglans
Chiral induction in [2+2+2] cycloaddition reactions
Asian J. Org. Chem., 2018, 7, 1706-1718
DOI: 10.1002/ajoc.201800291Keywords: Cycloaddition, Organometallics
Maria Voccia, Steven P. Nolan, Luigi Cavallo, Albert Poater
The activity of indenylidene derivatives in olefin metathesis catalysts
Beilstein J. Org. Chem., 2018, 14, 2956-2963
DOI: 10.3762/bjoc.14.275Keywords: Catalysis, Computational chemistry, Organometallics, Predictive Chemistry, Reaction mechanisms
Jamie McIntyre, Irene Mayoral-Soler, Pedro Salvador, Albert Poater, David J. Nelson
Insights into mechanism and selectivity in ruthenium(
Catal. Sci. Technol., 2018, 8, 3174-3182
DOI: 10.1039/c8cy00592cKeywords: Catalysis, Computational chemistry, Density Functional Theory, Organometallics, Reaction mechanisms
Oscar F. González-Belman, J. Oscar C. Jiménez-Halla, Fady Nahra, Catherine S. J. Cazin, Albert Poater
The role of the metal in the dual-metal catalysed hydrophenoxylation of diphenylacetylene
Catal. Sci. Technol., 2018, 8, 3638-3648
DOI: 10.1039/c8cy00510aKeywords: Catalysis, Computational chemistry, Organometallics, Predictive Chemistry, Reaction mechanisms
Ibrahim Abdellah, Albert Poater, Jean-François Lohier, Annie-Claude Gaumont
Au(
Catal. Sci. Technol., 2018, 8, 6486-6492
DOI: 10.1039/c8cy01309hKeywords: Catalysis, Computational chemistry, Density Functional Theory, Organometallics, Reaction mechanisms
Ebtehal Naji-Rad, Martí Gimferrer, Naeimeh Bahri-Laleh, Mehdi Nekoomanesh-Haghighi, Roghieh Jamjah, Albert Poater
Exploring Basic Components Effect on the Catalytic Efficiency of Chevron-Phillips Catalyst in Ethylene Trimerization
Catalysts, 2018, 8, 224-
DOI: 10.3390/catal8060224Keywords: Catalysis, Chemical bonding, Density Functional Theory, Organometallics, Reaction mechanisms