Quantum Simulation
19 papers for year 2006 from PubMed
Showing 1-12 of 19
Ab initio calculations for the Zn 2s and 2p core level binding energies in Zn oxo compounds and ZnO.
Rössler N, Kotsis K, Staemmler V
2006
PubMed
Physical chemistry chemical physics : PCCP
Development of quantitative structure gas chromatographic relative retention time models on seven stationary phases for 209 polybrominated diphenyl ether congeners.
Wang Y, Li A, Liu H, Zhang Q, Ma W, Song W, Jiang G
2006
PubMed
Journal of chromatography. A
Dissociative photoionization of mono-, di- and trimethylamine studied by a combined threshold photoelectron photoion coincidence spectroscopy and computational approach.
Bodi A, Sztáray B, Baer T
2006
PubMed
Physical chemistry chemical physics : PCCP
Distance measurements in disodium ATP hydrates by means of 31P double quantum two-dimensional solid-state NMR spectroscopy.
Potrzebowski MJ, Gajda J, Ciesielski W, Montesinos IM
2006
PubMed
Journal of magnetic resonance (San Diego, Calif. : 1997)
Dynamic nuclear polarization and nuclear magnetic resonance in the vicinity of edge states of a 2DES in GaAs quantum wells.
Bowers CR, Caldwell JD, Gusev G, Kovalev AE, Olshanetsky E, Reno JL, Simmons JA, Vitkalov SA
2006
PubMed
Solid state nuclear magnetic resonance
Dynamics of 23Na during completely balanced steady-state free precession.
Kharrazian R, Jakob PM
2006
PubMed
Journal of magnetic resonance (San Diego, Calif. : 1997)
Fermionic superfluidity with imbalanced spin populations.
Zwierlein MW, Schirotzek A, Schunck CH, Ketterle W
2006
PubMed
Science (New York, N.Y.)
Molecular and vibrational structure of 2-mercapto pyrimidine and 2,4-diamino-6-hydroxy-5-nitroso pyrimidine: FT-IR, FT-Raman and quantum chemical calculations.
Krishnakumar V, John Xavier R
2006
PubMed
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Molecular structures of the 1,6-disubstituted triptycenes Sb2(C6F4)3 and Bi2(C6F4)3 using gas-phase electron diffraction and ab initio and DFT calculations.
Wann DA, Hinchley SL, Robertson HE, Al-Jabar NA, Massey AG, Rankin DW
2006
PubMed
Dalton transactions (Cambridge, England : 2003)
Photo-induced desorption of NO from NiO(100): calculation of the four-dimensional potential energy surfaces and systematic wave packet studies.
Mehdaoui I, Kröner D, Pykavy M, Freund HJ, Klüner T
2006
PubMed
Physical chemistry chemical physics : PCCP
Quantum chemical simulation of excited states of chlorophylls, bacteriochlorophylls and their complexes.
Linnanto J, Korppi-Tommola J
2006
PubMed
Physical chemistry chemical physics : PCCP
Separation of 47Ti and 49Ti solid-state NMR lineshapes by static QCPMG experiments at multiple fields.
Larsen FH, Farnan I, Lipton AS
2006
PubMed
Journal of magnetic resonance (San Diego, Calif. : 1997)