Quantum Chemistry
8,661 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 1957-1968 of 8,661
Probing the selectivity of theophylline toward cytosine and adenine: Insights from gas-phase complexes and DFT calculations.
Santamaria MP, Calabrese C, Melandri S, Fernández JA, Camiruaga A, Usabiaga I
Probing the Valley-Selective Tunneling Density of States in Monolayer MoS2 based Resonant Tunneling Devices
Abir Mukherjee, Kajal Sharma, Ajit K Katiyar, Saranya Das, Samit K Ray, Samaresh Das
Probing the weak interaction between silver and boron.
Choi HW, Kahraman D, Chen WJ, Wang LS
Probing topological edge states in a molecular synthetic dimension
Adarsh P. Raghuram, Francesca M. Blondell, Jonathan M. Mortlock, Benjamin P. Maddox, Sohail Dasgupta, Holly A. J. Middleton-Spencer, Kaden R. A. Hazzard, Hannah M. Price, Philip D. Gregory, Simon L. Cornish
Programmable Memristive Optical Antenna Via Plasmonic Tunneling Junction.
Wu Y, Song D, Lu Z, Zhang H, Guan H, Ke W, Zhang S, Xu H
Programmable quantum simulation of anharmonic dynamics
Cameron McGarry, Teerawat Chalermpusitarak, Kai Schwennicke, Frank Scuccimarra, Maverick J. Millican, Vassili G. Matsos, Christophe H. Valahu, Prachi Nagpal, Hon-Kwan Chan, Henry L. Nourse, Ivan Kassal, Ting Rei Tan
Programming long-range interactions in analog quantum simulators
Cristian Tabares, Alberto Muñoz de las Heras, Jan T. Schneider, Alejandro González-Tudela
Projector Quantum Variational Ansatz
Thomas Dumontier, Robin Ollive, Stephane Louise
Proline-Based Structural Rules for Predicting Prolyl Endopeptidase Inhibitory Peptides from Food Proteins: In Vitro Validation and Multiscale Computational Characterization.
Huang SM, Li ML, Liu PJ, Hsu KC
Promoting hydrogen evolution and methanol selective oxidation by regulating interface charge transfer on metal-anchored titanium oxide
Fuchun Zeng, Shuai Xu, Yuelu Fan, Jingjing Hui, Hanlin Huang, Zhigang Zou
ProQSAR: A modular and reproducible framework for small-data QSAR modeling with fit-and-use models.
Phan TM, Phan TL, Van-Nguyen PC, Le LHS, To VT, Truong TN, Merkle D, Stadler PF
Prospect of quantum computing on Enhanced Strain Gradient Crystal Plasticity theory
Amirhossein Lame Jouybari, Leon Cizelj