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 2569-2580 of 9,538
Prospect of quantum computing on Enhanced Strain Gradient Crystal Plasticity theory
Amirhossein Lame Jouybari, Leon Cizelj
Prospects for Quantum Computation in Propellant Design: Assessing the Stability of Cyclic Ozone in Nanoscale Confinement
Thomas W. Watts, Matthew Otten, Jason T. Necaise, Nam Nguyen, Benjamin Link, Kristen S. Williams, Yuval R. Sanders, Samuel J. Elman, Maria Kieferova, Michael J. Bremner, Kaitlyn J. Morrell, Justin E. Elenewski, Samuel D. Johnson, Luke Mathieson, Kevin M. Obenland, Rashmi Sundareswara, Adam Holmes
Protective Surface Amorphization Enabling Electrocatalytic Pt Alloy Synthesis.
Gu BS, Dutta S, Hong YR, Cho J, Kim MG, Kang J, Kim GY, Kim JH, Lim H, Choi SY, Choi CH, Lee IS
Protein local conductance in quantum bioelectrochemistry via Landauer–Marcus kinetics
Filipe C.D.A. Lima, Frank N. Crespilho
Protein-Ligand Free Energy Perturbation on Quantum Hardware
Zhen Li, Milana Bazayeva, Thaddeus Pellegrini, Mario Motta, Subhamoy Bhowmik, Susanta Das, Danil Kaliakin, Fangchun Liang, Akhil Shajan, Kenneth M. Merz
Protein-Solvent Interface Controls Proton-Coupled Reactivity in Cryptochrome 4a.
Luo J, Tremblay M, Hungerland J, Solov'yov IA, Subotnik JE, Hammes-Schiffer S
Proton quantum effects in the electronic structure of H <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"> <mml:msub> <mml:mi/> <mml:mn>3</mml:mn> </mml:msub> </mml:math> S: A multicomponent DFT study via the nuclear-electronic orbital method
Anonymous
Pt on Carbon Quantum Dot–TiO2–Ti3C2T <i>x</i> Heterostructures for Enhanced Photocatalytic Fast Green Dye Degradation and the Hydrogen Evolution Reaction
Sushma Balasaheb Lembhe, Sharon Benny Alex, Santosh Haram, Pragati Thakur
Pulse-optimised circuit elements for scalable and noise-resilient quantum chemistry
Henrik Gothen, Christopher K. Long, Djamila Hiller, Yunming Qian, Crispin H. W. Barnes, Normann Mertig, David R. M. Arvidsson-Shukur
Pulsed electrolysis controls sequential accumulation and conversion of key intermediates over zinc-based metal organic framework for enhanced nitrate electroreduction to ammonia.
Chen X, Liang Y, Zhou L, Chen F, Ding J, Wang M, Zhang L, Su J, Jin Z, Jiang M
Pure Near-Infrared Iridium Complexes with Rigid Oxygen-Bridged Boron Units and Solution-Processed OLED Application.
Zhao Z, Chen Q, Cui J, Yu W, Li F, Li Q, Sun X, Yuan A, Xie G, Shi C
Pure-Blue Emission at the Edge of the CIE Diagram: Carbazolyl NHC Platinum Butterfly Complexes with Near-Unity Quantum Yield and Their Application in Organic Light-Emitting Diodes
Jorge Roy, Sergio Martínez-Saiz, Michele Forzatti, Antonio Martín, Daniel Escudero, Daniel Tordera, Violeta Sicilia