Quantum Simulation
12,287 papers
Quantum Simulation Research Context
This category collects papers on quantum simulation methods for chemistry, materials, many-body systems, condensed matter, and physics models.
Showing 11929-11940 of 12,287
Catalytic mechanism of l,l-diaminopimelic acid with diaminopimelate epimerase by molecular docking simulations.
Brunetti L, Galeazzi R, Orena M, Bottoni A
2008
PubMed
Journal of molecular graphics & modelling
Conformational analyses of thiirane-based gelatinase inhibitors.
Lee M, Hesek D, Shi Q, Noll BC, Fisher JF, Chang M, Mobashery S
2008
PubMed
Bioorganic & medicinal chemistry letters
ENDOR evidence for the quantum exchange of the methylene protons.
Herak JN
2008
PubMed
Journal of magnetic resonance (San Diego, Calif. : 1997)
Ground state spin-switching via targeted structural distortion: twisted single-molecule magnets from derivatised salicylaldoximes.
Milios CJ, Piligkos S, Brechin EK
2008
PubMed
Dalton transactions (Cambridge, England : 2003)
Intramolecular interactions in protonated peptides: H+ PheGlyGly and H+ GlyGlyPhe.
Vaden TD, de Boer TS, Simons JP, Snoek LC
2008
PubMed
Physical chemistry chemical physics : PCCP
NMR analysis of partially folded states and persistent structure in the alpha subunit of tryptophan synthase: implications for the equilibrium folding mechanism of a 29-kDa TIM barrel protein.
Vadrevu R, Wu Y, Matthews CR
2008
PubMed
Journal of molecular biology
One-N, six-membered heterocyclic carbene complexes and the remote heteroatom concept.
Raubenheimer HG, Cronje S
2008
PubMed
Dalton transactions (Cambridge, England : 2003)
Role of exchange and dipolar interactions in the radical pair model of the avian magnetic compass.
Efimova O, Hore PJ
2008
PubMed
Biophysical journal
Simulation of tunneling in enzyme catalysis by combining a biased propagation approach and the quantum classical path method: application to lipoxygenase.
Mavri J, Liu H, Olsson MH, Warshel A
2008
PubMed
The journal of physical chemistry. B
Theory of stochastic dipolar recoupling in solid-state nuclear magnetic resonance.
Tycko R
2008
PubMed
The journal of physical chemistry. B
X-ray absorption and diffraction studies of the metal binding sites in amyloid beta-peptide.
Streltsov V
2008
PubMed
European biophysics journal : EBJ
A "hybrid plane" with spin-orbit interaction
Pavel Exner, Petr Šeba
2007
arXiv
arXiv preprint