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 829-840 of 8,661
Electronically Forbidden Raman Pathways Create a New Contrast Mechanism in Single-Molecule TERS.
Ikagawa H, Tamura M, Ishihara H
Electrostatic complementarity and interlayer coupling modulation in halogen-modified covalent organic frameworks for enhanced photocatalytic oxygen reduction.
Wu C, Chu F, Zhang H, Sun Y, Jiao Y, Zhao C, Zhang Z, Li X, Wang A, Jiang J
Electrostatic Gating of Ionic Conductance through Heterogeneous van der Waals Nanopores.
Barajas-Aguilar AH, Schiel M, Cao E, Cain D, Berrens ML, Aydin F, Pham TA, Sanchez-Yamagishi J, Siwy ZS
Elemental Nanocrystal Redox Pathway Enables Antimonide Colloidal Quantum Dots.
Chen Y, Zeng B, Lu M, Zhu J, Wang Q, Liu Z, Hu X, Liu Z, Sun C, Zhang J, Dai N, Li Y
Eleven undescribed cucurbitane-type triterpene saponins isolated from the whole plant of Picria fel-terrae Lour.
Zhang J, Shi G, Zhou J, Zhang W, Li X, Sun M, Ma X, Zhao G, Yu D, Liu Y
Eliminating spin-asymmetric orbital instabilities of unrestricted MRSF-TDDFT via selective Jacobi rotation.
Makhnev V, Park W, Komarov K, Nakata H, Lee S, Choi CH
Elliptically polarized high-order harmonic generation by controlling quantum paths with two-dimensional laser fields
Chunyang Zhai, Yifan Liu, Xiaosong Zhu, Fengrun Wu, Jiapeng Li, Pu Wang, Jingkun Xu, Qiming Zhao, Qingbin Tang, Yingbin Li, Baichao Liu, Benhai Yu
Elucidating many-body effects in molecular core spectra through real-time approaches: Efficient classical approximations and a quantum perspective.
Abraham V, Senapati P, Pathak H, Peng B
Elucidating structure-activity relationships of benzopyran derivatives as inhibitors of Chikungunya virus nsP2 and nsP4 via integrated docking, molecular dynamics, and DFT studies.
Dansana J, Acharya SS, Meher BR
Elucidating the Control of Circular Dichroism in Ion Yield via Chirped Pulses with Purposeful Models
Leon A. Kerber, Daniel M. Reich
Elucidating the corrosion inhibition mechanism of benzimidazole-based molecules on carbon steel: An integrated experimental and DFT/DFTB/MD molecular modelling study.
Halioui C, Timoudan N, Bensalah J, El Faydy M, Rbaa M, Elouhabi N, Bouabbadi A, Safi Z, Wazzan N, Benhiba F, Zarrok H, Oudda H, Zarrouk A
Elucidating the Origin of Hidden Limitations in Ru-Complex/Ag/Polymeric Carbon Nitride Hybrid Photocatalysts for Visible-Light CO(2) Reduction.
Nakada R, Nagao R, Onodera J, Zhang X, Oura M, Okazaki M, Tanaka T, Koda R, Tanaka M, Onda K, Maeda K