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 5533-5544 of 9,538

Adaptive Basis Sets for Practical Quantum Computing

Hyuk-Yong Kwon, Gregory M. Curtin, Zachary Morrow, C. T. Kelley, Elena Jakubikova

2022 arXiv arXiv preprint

Airborne absolute gravimetry with a quantum sensor, comparison with classical technologies

Yannick Bidel, Nassim Zahzam, Alexandre Bresson, Cédric Blanchard, Alexis Bonnin, Jeanne Bernard, Malo Cadoret, Tim Enzlberger Jensen, René Forsberg, Corinne Salaun, Sylvain Lucas, Marie Francoise Lequentrec-Lalancette, Didier Rouxel, Germinal Gabalda, Lucia Seoane, Dinh Toan Vu, Sylvain Bonvalot

2022 arXiv arXiv preprint

Alain Aspect's experiments on Bell's theorem: A turning point in the history of the research on the foundations of quantum mechanics

Olival Freire Junior

2022 arXiv arXiv preprint

Alfaxalone improved in acute stress‐induced tactile hypersensitivity and anxiety‐like behavior in mice

Kazumi Yoshizawa, Saki Ukai, Junpei Kuroda, Tsugumi Yamauchi, Daisuke Yamada, Akiyoshi Saitoh, Satoshi Iriyama, Shoichi Nishino, Satoru Miyazaki

2022 DOAJ Neuropsychopharmacology Reports

Alginate-Derivative Encapsulated Carbon Coated Manganese-Ferrite Nanodots for Multimodal Medical Imaging

Pemula Gowtham, Koyeli Girigoswami, Pragya Pallavi, Karthick Harini, Ilangovan Gurubharath, Agnishwar Girigoswami

2022 DOAJ Pharmaceutics

All Visible Light Photoswitch Based on the Dimethyldihydropyrene Unit Operating in Aqueous Solutions with High Quantum Yields

Zakaria Ziani, Saioa Cobo, Frédérique Loiseau, Damien Jouvenot, Elise Lognon, Martial Boggio-Pasqua, Guy Royal

2022 Crossref JACS Au

Ammonia dimer: extremely fluxional but still hydrogen bonded

Aling Jing, Krzysztof Szalewicz, Ad van der Avoird

2022 DOAJ Nature Communications

Amphiphilic Graphene Quantum Dots: Metal‐Free Photocatalyst for Hydrogen Evolution via Encapsulation of Organic Thermally Activated Delayed Fluorescence Photosensitizers

Hyunho Park, Illia E. Serdiuk, Soo Young Park

2022 Crossref ChemPhotoChem

An Interface for Variational Quantum Eigensolver based Energy (VQE-E) and Force (VQE-F) Calculator to Atomic Simulation Environment (ASE)

Nirmal M R, Shampa Sarkar, Manoj Nambiar

2022 arXiv arXiv preprint

Analytical formulation of the second-order derivative of energy for orbital-optimized variational quantum eigensolver: application to polarizability

Yuya O. Nakagawa, Jiabao Chen, Shotaro Sudo, Yu-ya Ohnishi, Wataru Mizukami

2022 arXiv arXiv preprint

Application of a combined safety approach for the evaluation of safety margin during a Loss of Condenser Vacuum event

Dong-Hun Shin, Hae-Yong Jeong, Moon-Ghu Park, Jung-Uk Sohn

2022 DOAJ Nuclear Engineering and Technology

Application of deep learning and molecular modeling to identify small drug-like compounds as potential HIV-1 entry inhibitors.

Andrianov AM, Nikolaev GI, Shuldov NA, Bosko IP, Anischenko AI, Tuzikov AV

2022 PubMed Journal of biomolecular structure & dynamics