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 829-840 of 9,662
Deciphering bonding topology and dynamic biomolecular recognition of a Ni(II) Schiff base complex: A crystallographic–quantum chemical approach
N. Maithra, Chahra Bouchameni, Ouahida Zeghouan, B.S. Chethan, N.K. Lokanath
Deciphering Infrared Difference Spectra of Bovine Rhodopsin in the Amide I Region by Localized Anharmonic Vibrational Calculations.
Matsuyama N, Katayama K, Yagi K
Deciphering Proton Tunneling in Single-Molecule Chemical Reactions.
Jiang Y, Jia Z, Zhang Z, Zhou Y, Chen LC, Li Y, Zhang H, Su M, Bai J, Liu J, Dong JC, Wang T, Li JF, Hong W
Deciphering the Impact of Light-Dark Cycles on the Interaction Between Cyanophage YongM and Nostoc sp. FACHB-596.
Sun T, Li Z, Zhu X, Wu Z, Tong Y
Deciphering the infrared spectrum of the hydrated proton using full-dimensional quantum dynamics.
Mendive-Tapia D, Schran C, Das B, Gatti F, Schröder M, Marx D, Vendrell O
Deciphering the role of tilde-shaped rhodanine-based non-fullerene acceptor materials for efficient organic photovoltaics.
Tahir F, Adnan M, Hussain M, Hussain R, Irshad Z, Darwish HW, Ahmed M, Asif Iqbal MM
Decoding d- and l-Amino Acids: Data-Driven Recognition of Enantiomers and Post-Translational Modifications via Quantum Tunneling.
Mittal S, Jena MK, Pathak B
Decoding Polyether-Cation Interactions: Computational Strategies for Agricultural Applications.
Damante JVJ, da Silva EE, Alves FB, Fico BA, Parreira RLT, Molina EF, Orenha RP
Decoding the hydrogen storage signature of LaMgHn (n = 1–24) clusters: Atomic-scale insights for rare-earth modified magnesium hydrides
Ben-Chao Zhu, Lei Bao, Wen-Yu Fang, Jia Guo, Chun-Jing Liu, Ping-Ji Deng, Lu Zeng, Jun Zhao
Decoding the stabilizing role of spermine on the JX DNA crossover: Insights from all-atom molecular dynamics and quantum-based charge models
Jun Yang, Ali Alkhafaji, Qutaiba Al Khames Aga, Mahmut Taner, Soheil Salahshour, S. Mohammad Sajadi, Kamkar Vahedi
Decoding vibrational energy transfer in CO-O2 collisions: Vibrational state-to-state rate coefficient datasets on a new potential energy surface.
Hong Q, Pirani F, Kurnosov A, He D, Sun Q, Coletti C
Decoherence-Free Qubit and Chiral Emission from a Giant Molecule in Waveguide QED
Yang Wang, Juan José García-Ripoll, Alan C. Santos