Quantum Chemistry
9,662 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 1129-1140 of 9,662
Electrostriction in a Bose-Einstein Condensate of Dipolar Molecules
Haneul Kwak, Ian Stevenson, Weijun Yuan, Siwei Zhang, Asaf Toprakci, Lin Su, Tijs Karman, Sebastian Will
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 Au-C bonding via laser spectroscopy of gold monocarbide.
Weldon RM, Darling DM, Albright NM, Rice KL, Salerno PL, Stuntz KC, Augenbraun BL
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
Elucidating the role of TPGS in felodipine/PVPVA amorphous solid dispersions during water uptake: dissipative particle dynamics simulations using quantum chemistry-based interaction parameters
Chinatsu Kobayashi, Naoko Konami, Yumika Ogura, Koji Okuwaki, Kenjirou Higashi, Motoki Inoue, Takefumi Yamashita, Takayuki Furuishi, Kaori Fukuzawa, Etsuo Yonemochi