Quantum Chemistry
9,538 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 5581-5592 of 9,538
Discovery of RTA ricin subunit inhibitors: a computational study using PM7 quantum chemical method and steered molecular dynamics.
Chaves EJF, Gomes da Cruz LE, Padilha IQM, Silveira CH, Araujo DAM, Rocha GB
Discrimination of Chiral Molecules through Holonomic Quantum Coherent Control
Teng Liu, Fa Zhao, Pengfei Lu, Qifeng Lao, Min Ding, Ji Bian, Feng Zhu, Le Luo
Dissociation slowdown by collective optical response under strong coupling conditions
Maxim Sukharev, Joseph Subotnik, Abraham Nitzan
Dissolution and recovery of beryllium from beryl using a novel wet process with microwave heating
Suguru Nakano, Jae-Hwan Kim, Taehyun Hwang, Ryuta Kasada, Masaru Nakamichi
Doubling the order of approximation via the randomized product formula
Chien Hung Cho, Dominic W. Berry, Min-Hsiu Hsieh
Dynamical Behavior of Two Interacting Double Quantum Dots in 2D Materials for Feasibility of Controlled-NOT Operation.
Kesorn A, Hunkao R, Tivakornsasithorn K, Sinsarp A, Sukkabot W, Suwanna S.
Efficient Calculation of NMR Shielding Constants Using Composite Method Approximations and Locally Dense Basis Sets
Jiashu Liang, Zhe Wang, Jie Li, Jonathan Wong, Xiao Liu, Brad Ganoe, Teresa Head-Gordon, Martin Head-Gordon
Efficient simulation of open quantum systems coupled to a reservoir through multiple channels
Hanggai Nuomin, Jiaxi Wu, Peng Zhang, David N. Beratan
Electronic Structure Calculation with the Exact Pseudopotential and Interpolating Wavelet Basis
Tommi Höynälänmaa, Tapio Rantala
Electrostatic multipole contributions to the binding energy of electrons
A. D. Alhaidari, H. Bahlouli
Elliptical Polarization of Localized States in an Anisotropic Single GaAs Quantum Ring
Seongho Park, Minju Kim, Inhong Kim, Robert A. Taylor, Jindong Song, Kwangseuk Kyhm
Enantiomer detection via Quantum Otto cycle
Mohsen Izadyari, M. Tahir Naseem, Özgür E. Müstecaplıouglu