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 1921-1932 of 8,661
Practical integration of machine learning into ab initio calculations and workflows: Accelerating the SCF cycle via density matrix predictions.
Stishenko P, Qian C, Westermayr J, Maurer RJ, Logsdail AJ
Precious Metal Dioxide Nanosheets: Bridging the Gap between Solution Chemistry and Solid-State Two-Dimensional Materials.
Tominaka S, Takimoto D, Machida A, Eda T, Nakahira Y, Tokura Y, Sugimoto W
Precise control of InP quantum dot growth via recyclable indium adducts.
Cartlidge AJ, Gazis TA, Pitas UO, Robertson JE, Matthews L, Hollamby MJ, Matthews PD
Precise Modulation of Excited-State Energy Flow via Consecutive Twisted Intramolecular Charge Transfer (ConTICT) for Autophagy-Blocking Photothermal Therapy.
Li X, Han F, Zhang H, Wu K, Long S, Sun W, Du J, Fan J, Peng X
Precise structure and polarization determination of Hf(0.5)Zr(0.5)O(2) with electron ptychography.
Gao X, Liu Z, Han B, Zhang X, Mao R, Shi R, Zhu R, Lu J, Wang T, Jin K, Li J, Ge C, Gao P
Precision hyperfine spectroscopy of an individual nuclear-spin-9/2
J. Travesedo, Z. W. Huang, L. Mykolyshyn, N. Thill, L. Pallegoix, P. Goldner, T. Chaneliere, S. Bertaina, T. Charpentier, D. Esteve, P. Abgrall, D. Vion, J. OSullivan, E. Flurin, P. Bertet
Precision probing of ionic-core transitions in alkaline-earth Rydberg atoms
Mitsuki Odahara, Shinsuke Haze
Precursor effects and formation mechanism of polyol-synthesized thermoelectric Bi(2)Te(3).
Donohoe M, Licskai T, Niknam E, Assoud A, Zou T, Kycia J, Kleinke H
Precursor-dependent optical and structural properties of eleven NIR-emissive graphene quantum dots for bioimaging applications.
Vashani D, Paul H, Nguyen S, Topkiran UC, Valimukhametova AR, Dorsky A, Sottile O, Durmaz L, Gonzalez-Rodriguez R, Naumov AV
Predicting antimicrobial peptide properties using enhanced quantum recurrent neural network with self-attention and peephole mechanisms
Yanan Li, Zhimin Wang, Ruipeng Xing, Xuefei Wang, Yongjian Gu
Predicting electronic properties of molecules: a stacking ensemble model for HOMO and LUMO energy estimation.
Mahmoudi O, Kim MH
Predicting excited-state lifetimes in Cobalt(III) polypyridyl complexes: From quantum chemistry to nonadiabatic dynamics
Olga S. Bokareva, Leticia González, Sebastian Mai