Quantum Chemistry
112 papers for year 2012
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 73-84 of 112
Quantitative characterization of the lipid encapsulation of quantum dots for biomedical applications.
Galloway JF, Winter A, Lee KH, Park JH, Dvoracek CM, Devreotes P, Searson PC
Quantum chemical modeling study of adsorption of benzoic acid on anatase TiO2 nanoparticles.
Wahab HS
Quantum computing without wavefunctions: time-dependent density functional theory for universal quantum computation.
Tempel DG, Aspuru-Guzik A.
Quantum interference between three two-spin states in a double quantum dot.
Studenikin SA, Aers GC, Granger G, Gaudreau L, Kam A, Zawadzki P, Wasilewski ZR, Sachrajda AS.
Quantum mechanical studies of lincosamides.
Kulczycka-Mierzejewska K, Trylska J, Sadlej J
Quantum polarization transformations in anisotropic dispersive medium
Yu. I. Bogdanov, A. A. Kalinkin, S. P. Kulik, E. V. Moreva, V. A. Shershulin
Quantum-chemical investigation of the structure and the antioxidant properties of α-lipoic acid and its metabolites.
Szeląg M, Mikulski D, Molski M
Rate constants and branching ratios for the reaction of CH radicals with NH3: a combined experimental and theoretical study.
Blitz MA, Talbi D, Seakins PW, Smith IW
Role of cationic size in the optical properties of the LiCl crystal surface: theoretical study.
Abdel Halim WS, Abdullah N, Abdel-Aal S, Shalabi AS
Si-doped graphene: an ideal sensor for NO- or NO2-detection and metal-free catalyst for N2O-reduction.
Chen Y, Gao B, Zhao JX, Cai QH, Fu HG
Spin in Density-Functional Theory
Christoph R. Jacob, Markus Reiher
Split Kinetic Energy Method for Quantum Systems with Competing Potentials
H. Mineo, Sheng D. Chao