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Results: 1707

Ramon Carbó-Dorca
Collatz Conjecture Redefinition on Prime Numbers
JAMP, 2023, 11, 147-157
DOI: 10.4236/jamp.2023.111011
Keywords: Molecular similarity

Debraj Nath, Ramon Carbó-Dorca
On the Expression of Composite Natural Numbers as Tensorial Products of Prime Natural Powers Vectors
JAMP, 2023, 11, 1728-1736
DOI: 10.4236/jamp.2023.116112
Keywords: Molecular similarity

Eduardo Jaimes-Romano, Hugo Valdés, Simon Hernández-Ortega, Rosa Mollfulleda, Marcel Swart, David Morales-Morales
C–S Couplings Catalyzed by Ni(II) Complexes of the Type [(NHC)Ni(Cp)(Br)]
Journal of Catalysis, 2023, [], ASAP-
DOI: 10.1016/j.jcat.2023.07.001
Keywords: Computational chemistry, Cross-coupling reactions, Homogeneous catalysis, Reaction mechanisms, Spin states

Samahe Sadjadi, Neda Abedian-Dehaghani, MajidM. Heravi, Xuemin Zhong, Peng Yuan, Josep Duran, Albert Poater, Naeimeh Bahri-Laleh
Clay-supported acidic ionic liquid as an efficient catalyst for conversion of carbohydrates to 5-hydroxymethylfurfural
Journal of Molecular Liquids, 2023, 382, 121847-
DOI: 10.1016/j.molliq.2023.121847
Keywords: Chemical bonding, Computational chemistry, Non-covalent interactions, Reaction mechanisms, Sustainable Catalysis

Reza Bazvand, Naeimeh Bahri-Laleh, Hossein Abedini, Mehdi Nekoomanesh, Albert Poater
Exploring microstructure of MgCl2·nEtOH adducts for Ziegler-Natta catalysts
Journal of Molecular Structure, 2023, 1291, 136098-
DOI: 10.1016/j.molstruc.2023.136098
Keywords: Chemical bonding, Computational chemistry, Predictive Chemistry, Reaction mechanisms, Sustainable Catalysis

O. A. Stasyuk, A. J. Stasyuk, M. Solà, A. A. Voityuk
γ-graphyne: A promising electron acceptor for organic photovoltaics
Materials & Design, 2023, 225, 111526-
DOI: 10.1016/j.matdes.2022.111526
Keywords: Electron and energy transfer, Excited states, Supramolecular chemistry

Hima P, Vageesh M, Michele Tomasini, Albert Poater, Raju Dey
Transition metal-free synthesis of 2-aryl quinazolines via alcohol dehydrogenation
Molecular Catalysis, 2023, 542, 113110-
DOI: 10.1016/j.mcat.2023.113110
Keywords: Chemical bonding, Computational chemistry, Reaction mechanisms, Sustainable Catalysis

Pau Font, Nikolaos V. Tzouras, Argyro T. Papastavrou, Georgios C. Vougioukalakis, Xavi Ribas
Novel NHC-Based Au(I) Complexes as Precursors of Highly Pure Au(0) Nuggets under Oxidative Conditions
Molecules, 2023, 28, 2302-
DOI: 10.3390/molecules28052302
Keywords: Catalysis, High-valent metal complexes, Organometallics, Reaction mechanisms

G. George, O. A. Stasyuk, A. A. Voityuk, A. J. Stasyuk, M. Solà
Aromaticity controls the excited-state properties of host–guest complexes of nanohoops
Nanoscale, 2023, 15, 1221-1229
DOI: 10.1039/D2NR04037A
Keywords: Aromaticity, Electron and energy transfer, Excited states, Fullerenes, Supramolecular chemistry

Gibu George, Olga A. Stasyuk, Miquel Solà, Anton J. Stasyuk
A step towards rational design of carbon nanobelts with tunable electronic properties
Nanoscale, 2023, [], ASAP-
DOI: 10.1039/D3NR04045C
Keywords: Aromaticity, Electron and energy transfer, Excited states, Photovoltaic materials, Supramolecular chemistry