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7344 results: 7284 articles and 60 books or book chapters
Last updated: Sep 10, 2026-
4681
Microwave-Assisted Organocatalyzed Rearrangement of Propargyl Vinyl
Ethers to Salicylaldehyde Derivatives: An Experimental and Theoretical
Study
D. Tejedor, L. Cotos, D. Marquez-Arce, M. Odriozola-Gimeno, M. Torrent-Sucarrat, F. P. Cossio, and F. Garcia-Tellado
Chem.-Eur. J. 21, 18280 (2015). -
4682
Chemical Bonding of Transition-Metal Co-13 Clusters with Graphene
T. Alonso-Lanza, A. Ayuela, and F. Aguilera-Granja
ChemPhysChem 16, 3700 (2015). -
4683
pi-Hole Bonds: Boron and Aluminum Lewis Acid Centers
S. J. Grabowski
ChemPhysChem 16, 1470 (2015). -
4684
Lewis acid-Lewis base interactions: From NFH3+center dot center dot
center dot NCH and NF4+center dot center dot center dot NCH complexes to
NFH3+center dot center dot center dot(NCH)(n) and NF4+center dot center
dot center dot(NCH)(n) clusters
S. J. Grabowski
Comput. Theor. Chem. 1053, 289 (2015). -
4685
Assessment of Density-Functional Tight-Binding Ionization Potentials and
Electron Affinities of Molecules of Interest for Organic Solar Cells
Against First-Principles GW Calculations
A. A. M. H. M. Darghouth, M. E. Casida, W. Taouali, K. Alimi, M. P. Ljungberg, P. Koval, D. Sanchez-Portal, and D. Foerster
Computation 3, 616 (2015). -
4686
Design and performance characterization of electronic structure
calculations on massively parallel supercomputers: a case study of GPAW
on the Blue Gene/P architecture
N. A. Romero, C. Glinsvad, A. H. Larsen, J. Enkovaara, S. Shende, V. A. Morozov, and J. J. Mortensen
Concurr. Comput.-Pract. Exp. 27, 69 (2015). -
4687
Molecular simulation of oligo-glutamates in a calcium-rich aqueous
solution: insights into peptide-induced polymorph selection
J. Kahlen, C. Peter, and D. Donadio
Crystengcomm 17, 6863 (2015). -
4688
Redox-active and DNA-binding coordination complexes of clotrimazole
S. Betanzos-Lara, N. P. Chmel, M. T. Zimmerman, L. R. Barron-Sosa, C. Garino, L. Salassa, A. Rodger, J. L. Brumaghim, I. Gracia-Mora, and N. Barba-Behrens
Dalton Trans. 44, 3673 (2015). -
4689
Mesoscopic Josephson junctions with switchable current-phase relation
E. Strambini, F. S. Bergeret, and F. Giazotto
EPL 112, 17013 (2015). -
4690
Theory of diffusive phi(0) Josephson junctions in the presence of
spin-orbit coupling
F. S. Bergeret, and I. V. Tokatly
EPL 110, 57005 (2015). -
4691
Defect migration in methylammonium lead iodide and its role in
perovskite solar cell operation
J. M. Azpiroz, E. Mosconi, J. Bisquert, and F. De Angelis
Energy Environ. Sci. 8, 2118 (2015). -
4692
Remote Substituent Effects on the Stereoselectivity and Organocatalytic
Activity of Densely Substituted Unnatural Proline Esters in Aldol
Reactions
M. de Gracia Retamosa, A. de Cozar, M. Sanchez, J. I. Miranda, J. M. Sansano, L. M. Castello, C. Najera, A. I. Jimenez, F. J. Sayago, C. Cativiela, and F. P. Cossio
Eur. J. Org. Chem. 2015, 2503 (2015). -
4693
Synthesis of Chromen[4,3-b]pyrrolidines by Intramolecular 1,3-Dipolar
Cycloadditions of Azomethine Ylides: An Experimental and Computational
Assessment of the Origin of Stereocontrol
P. R. R. Costa, J. M. Sansano, U. Cossio, J. C. F. Barcellos, A. G. Dias, C. Najera, A. Arrieta, A. de Cozar, and F. P. Cossio
Eur. J. Org. Chem. 2015, 4689 (2015). -
4694
Enhancing and controlling single-atom high-harmonic generation spectra:
a time-dependent density-functional scheme
A. Castro, A. Rubio, and E. K. U. Gross
Eur. Phys. J. B 88, 191 (2015). -
4695
Modeling electron dynamics coupled to continuum states in finite volumes
with absorbing boundaries
U. De Giovannini, A. Hjorth Larsen, and A. Rubio
Eur. Phys. J. B 88, 56 (2015). -
4696
Zwitterionic ring-opening polymerization for the facile, efficient and
versatile grafting of functional polyethers onto graphene sheets
I. Asenjo-Sanz, J. I. Santos, A. M. Bittner, J. A. Pomposo, and F. Barroso-Bujans
Eur. Polym. J. 73, 413 (2015). -
4697
A classical treatment of optical tunneling in plasmonic gaps: extending
the quantum corrected model to practical situations
R. Esteban, A. Zugarramurdi, P. Zhang, P. Nordlander, F. J. Garcia-Vidal, A. G. Borisov, and J. Aizpurua
Faraday Discuss. 178, 151 (2015). -
4698
Theoretical Investigations of the Perylene Electronic Structure:
Monomer, Dimers, and Excimers
D. Casanova
Int. J. Quantum Chem. 115, 442 (2015). -
4699
Structural, Magnetic, and Vibrational Properties of Stoichiometric
Clusters of CrN
F. Aguilera-Granja, J. Carrete, A. Vega, and L. J. Gallego
Int. J. Quantum Chem. 115, 523 (2015). -
4700
An integral representation for the product of two parabolic cylinder
functions having unrelated arguments
M. L. Glasser
Integral Transform. Spec. Funct. 26, 825 (2015).