Quantum Chemistry
8,744 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 2701-2712 of 8,744
The role of exciplex charge-transfer character and reorganization energy in steering oxygen-quenching pathways of chromium(III) excited states.
Amer ASI, Alazaly A, El-Jemni MA, Hassan HH, Abdel-Samad HS, Abdel-Shafi AA
The Role of Non-covalent Interactions in the Molecular Recognition and Attachment of the Chikungunya Virus to the MXRA8 Receptor.
Gallego V, Gómez SA, Gómez S, Galindo JF, Cappelli C, Restrepo A, Rojas-Valencia N
The scientific legacy of Martin Karplus from the perspective of his collaborators.
Andricioaei I, Best RB, Birge RR, Boresch S, Brunger A, Brooks BR, Buck M, Brüschweiler R, Caflisch A, Case DA, Cui Q, Dejaegere A, Dinner AR, Elber R, Evanseck JD, Gao J, Guo H, Hubbard RE, Kuriyan J, Joseph-McCarthy D, Levy RM, Nilsson L, Mattos C, MacKerell AD Jr, McCammon JA, Michnick SW, Mulholland A, Meuwly M, Pastor RW, Reuter N, Roux B, Sali A, Schlick T, Smith JC, Stote RH, Straub JE, Taly A, van der Vaart A, Wan S, Weiss MA, Yang W, York DM, Zhou Y
The Sense of Smell (SoS) Atlas: Its Creation and First Application to Investigate COVID-19 Related Anosmia With a Comprehensive Quantitative MRI Protocol.
Gaviraghi M, Lupi E, Grosso E, Fusari A, Baiguera M, Monteverdi A, Battiston M, Grussu F, Kanber B, Prados Carrasco F, Samson RS, Makaronidis J, Yiannakas MC, Zandi MS, Batterham RL, D'Angelo E, Palesi F, Gandini Wheeler-Kingshott CAM
The Structure of Zinc Chelidonate in the Crystalline Phase, Aqueous Solution and Assessment of the Interaction with Serum Albumin.
Kozin S, Dotsenko V, Aksenov N, Bespalov A, Kravtsov A, Lyasota O, Dorohova A, Kindop V, Bobrovnik S, Moiseev A, Ivashchenko L, Gerasimenko E, Huy TQ, Dzhimak S
Theoretical and computational studies on the conformation of dodecahydrospiro[isothiochromene-3,2'-thiopyran] compounds using Density Functional Theory (DFT) methods and Natural Bond Orbital (NBO) analysis.
Yuan P, Banapour A
Theoretical Elucidation of Luminescence Characteristics and Phosgene Recognition Mechanism of BODIPY-Based Fluorescent Probe 8-EDAB.
Liu Q, Liu Z, Wang Y, Li Z, Li H
Theoretical Foundations of Quantum Mechanics
Ji Z, Zhang H.
Theoretical insight into the unique structural stabilization mechanism in actinide-centered boride.
Hu SX, Qiu P, Liu H
Theoretical insights into the structural, electronic, photocatalytic and supercapacitor applications of pentahexoctite.
Barman N, Sarkar U
Theoretical quantum design of pump-laser pulses for generating helical photon-dressed states.
Ho QH, Phan NL, Mineo H
Theoretical study of the reaction mechanisms, kinetics, and toxicity of acetyl peroxyl and hydroperoxyl radicals: implications for atmospheric chemistry.
Xiao W, Liu L, Bai F, Zhang S, Zhang X