Results 171 to 180 of about 1,341,408 (264)

Exploring the Regioselectivity of Diels–Alder Reactions of 2,6‐Disubstituted Benzoquinones through DFT Calculations

European Journal of Organic Chemistry, Volume 28, Issue 43, November 24, 2025.
The effect of 19 substituents on the regioselectivity of Diels–Alder reactions is explored by quantum chemistry. Experimentally observed product distributions are compared favorably with calculated reaction barrier trends. Unlike interaction energies, the deformation energies corresponding to the two regioisomers differ significantly and follow the ...
Erik Kalla, Hugo Semrád, Lukáš Maier, Kamil Paruch, Hendrik Zipse, Markéta Munzarová   +5 more
wiley   +1 more source

Extremal quantum correlation generation using a hybrid channel. [PDF]

Sci Rep, 2023
Rahman AU, Ali H, Zangi SM, Qiao CF.
europepmc   +1 more source

Perspective on Interdisciplinary Approaches on Chemotaxis

Angewandte Chemie International Edition, Volume 64, Issue 47, November 17, 2025.
Chemotaxis is the movement of individual organisms towards or away from a chemical stimulus. This phenomenon is investigated in various disciplines, ranging from biology to physics and even engineering. This perspective aims to summarise recent developments in the field and encourage the unification of terminology to promote interdisciplinary knowledge
Juliane Simmchen, Daniel Gordon, John MacKenzie, Ignacio Pagonabarraga, Christina C. Roggatz, Robert G. Endres, Zuyao Xiao, Benjamin M. Friedrich, Tian Qiu, Kevin J. Painter, Ramin Golestanian, Claudia Contini, Mehmet Can Ucar, Gilad Yossifon, Jens Uwe Sommer, Wouter‐Jan Rappel, Kirsty Y. Wan, Judith Armitage, Robert Insall   +18 more
wiley   +1 more source

Scaling of geometric quantum discord close to a topological phase transition. [PDF]

Sci Rep, 2014
Shan CJ, Cheng WW, Liu JB, Cheng YS, Liu TK.   +4 more
europepmc   +1 more source

Quantum discord and non-Markovianity of quantum dynamics [PDF]

, 2012
S. Alipour, Azam Mani, A. T. Rezakhani
openalex   +1 more source

On the Origin of Solvent‐Dependent Ultraviolet–Visible Spectral Behavior of the Complexes [R3PAuCl]n (R = H, Me and Et, n = 1,2)

European Journal of Inorganic Chemistry, Volume 28, Issue 32, November 10, 2025.
For the linear gold complexes R3PauCl, R = H, Me, Et, immersed in solvent, a dimer aggregation model is required to achieve good agreement between the calculated and experimental absorption spectra using a spin‐orbit/relativistic/solvent model approximation. The solvatochromic effect increases with the dielectric constant up to a saturation point.
Pedro Francisco Santiago, Jorge Ramón Soto Mercado, Bertha Molina Brito   +2 more
wiley   +1 more source

Quantum correlations in the frustrated XY model on the honeycomb lattice. [PDF]

Sci Rep, 2023
Satoori S, Mahdavifar S, Vahedi J.
europepmc   +1 more source

Quantum teleportation and dynamics of quantum coherence and metrological non-classical correlations for open two-qubit systems. [PDF]

Sci Rep, 2023
Dakir Y, Slaoui A, Mohamed AA, Laamara RA, Eleuch H.   +4 more
europepmc   +1 more source

Quantum discord from system–environment correlations [PDF]

, 2014
R. Tatham, N. Korolkova, R. Tatham, N. Korolkova   +3 more
openalex   +1 more source

On two-qubit states ordering with quantum discords [PDF]

, 2012
M. Okrasa, Walczak Z, M. Okrasa, Walczak Z   +3 more
openalex   +1 more source