Quantum Chemistry
3,656 papers from PubMed
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 1609-1620 of 3,656
Postexercise Lactate Clearance, T(2) Relaxation, and J-Modulation in Human Skeletal Muscle Measured With Double-Quantum Filtered (1)H MRS at 7 T.
Repnin K, Rocha Dos Santos VR, Cap V, Frass-Kriegl R, Trattnig S, Kemp GJ, Meyerspeer M
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
Precisely controlling full-color nanofilms for multi-level spatial-time-evolved via phosphorescence decay.
Liu H, Dai H, Chang G, Wang L, Zhu H, He H
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 electronic properties of molecules: a stacking ensemble model for HOMO and LUMO energy estimation.
Mahmoudi O, Kim MH
Predicting Enantioselectivity of Ruthenium-Catalyzed Ketone Hydrogenation with 3D Structure-Based Deep Learning.
Hadler N, Ramirez E, Avaylon M, Elkin M, Rinehart NI, Mahoney MW, Weber GH, Hoche J, Brandenburg JG, Perciano T, Hartwig JF
Predictive Quantum Vibrational Spectra through Active Learning 4G-NNPs.
Faruque MO, Limbu DK, London N, Momeni MR