Quantum Chemistry
9,538 papers
Quantum Chemistry Research Context
This Quantum Articles category organizes published quantum research papers so readers can browse focused work by topic, source, and year.
Showing 3397-3408 of 9,538
The Angular Localization Function (ALF): A Practical Tool to Measure Solvent Angular Order with Molecular Density Functional Theory.
Souetre M, Rotenberg B, Jeanmairet G
The aromaticity of cyanine dyes: ring current and valence bond calculations.
Cunha AV, Neme NP, Havenith RWA
The arrangement of anisotropic spin couplings can optimize sensitivity of the cryptochrome radical pair to the direction of geomagnetic field
Victor Bezchastnov, Tatiana Domratcheva
The ATP-independent dihydro-2-phenanthroyl-CoA reductase AprC catalyzes two consecutive two-electron reduction steps of dihydro-2-phenanthroyl-CoA to hexahydro-2-phenanthroyl-CoA in anaerobic phenanthrene degradation.
Samak NA, Adjir K, Götz F, Surmeneva A, Fax J, Haberhauer G, Meckenstock RU
The Average Relative Entropy and Transpilation Depth determines the noise robustness in Variational Quantum Classifiers
Aakash Ravindra Shinde, Arianne Meijer - van de Griend, Jukka K. Nurminen
The binding between amino acids and microplastics: a quantum chemistry study into the interactions of model systems and the prospect of extending to larger aggregates
Bun Chan, Amir Karton
The Coherence Signature - Five Criteria for Identifying Systems in Resonance with the Quantum Vacuum
Hakan Henken
The Corrosion Inhibition Effect of Salpn Schiff Base on Low-Carbon Steel in a Hydrochloric Acid Environment: An Integrated Study Combining Laboratory Experiments and Computational Modeling
Huda Alqahtani, Amal El Tohamy, Ahmed Aboelmagd, Salah A.M. Rashwan, Abdel Aziz Fouda, Medhat M. Kamel
The cost of quantum algorithms for biochemistry: A case study in metaphosphate hydrolysis
Ryan LaRose, Antonios M. Alvertis, Alan Bidart, Ben DalFavero, Sophia E. Economou, J. Wayne Mullinax, Mafalda Ramôa, Jeremiah Rowland, Brenda Rubenstein, Nicolas PD Sawaya, Prateek Vaish, Grant M. Rotskoff, Norm M. Tubman
The CP-PAW Code Package for First-Principles Calculations from a User's Perspective.
Blöchl PE, Schade R, Allen-Rump L, Rajpurohit S, Rathnakaran A, Tamoev K, Lokamani M, Kühne TD
The Design and Synthesis of High‐Performance Two‐Photon Absorbing Fluorophores With Large Two‐Photon Absorption Cross Sections and High Fluorescence Emission Quantum Yields
Jian Qing, Haoyu Lu, Jianpeng Liu, Shengsi Liu, Xiao‐Fang Jiang, Liang Xu
The destruction of (3)HeT(+) in collisions with tritium: a dynamical study.
Sahoo J, Bossion D, Spanier F, González-Lezana T, Scribano Y