Value of NMR Parameters and DFT Calculations for Quantum Information Processing Utilizing Phosphorus Heterocycles.
作者： Jéssica B. R. Lino , Eduardo P. Rocha , Teodorico C. Ramalho
关键词:
摘要: Quantum computing is the field of science that uses quantum-mechanical phenomena, such as superposition and entanglement, to perform operations on data. The fundamental information unit used in quantum bit or qubit. It well-known computers could theoretically be able solve problems much more quickly than any classical computers. Currently, first still most successful implementations processing (QIP) have been based nuclear spins liquids. However, molecules enable many qubits NMR QIP should meet some conditions: large chemical shifts appropriately dispersed for qubit addressability, appreciable spin–spin coupling between pair spins, a long relaxation time. In this line, benzyldene-2,3-dihydro-1H-[1,3]diphosphole (BDF) derivatives tested maximizing shifts, coupling, minimizing hyperfine constant. Thus, struc...
acs.org
harvard.edu
sci-hub.se 参考文章(71)
Calculation of NMR and EPR parameters : theory and applications Wiley-VCH. ,(2004) , 10.1002/3527601678
T. S. Mahesh, Dieter Suter, Spins as qubits American Institute of Physics. ,(2008) , 10.17877/DE290R-8222
Mateus A Gonçalves, Elaine FF da Cunha, Fernando C Peixoto, Teodorico C Ramalho, None, Probing thermal and solvent effects on hyperfine interactions and spin relaxation rate of δ-FeOOH(100) and [MnH3buea(OH)]2−: Toward new MRI probes Computational and Theoretical Chemistry. ,vol. 1069, pp. 96- 104 ,(2015) , 10.1016/J.COMPTC.2015.07.006
Raimund Marx, Nikolas Pomplun, Wolfgang Bermel, Heinz Zeiger, Frank Engelke, Amr F. Fahmy, Steffen J. Glaser, Engineering of an all-heteronuclear 5-qubit NMR quantum computer. Magnetic Resonance in Chemistry. ,vol. 53, pp. 442- 447 ,(2015) , 10.1002/MRC.4233
N. Boulant, M. A. Pravia, E. M. Fortunato, T. F. Havel, D. G. Cory, Experimental Concatenation of Quantum Error Correction with Decoupling Quantum Information Processing. ,vol. 1, pp. 135- 144 ,(2002) , 10.1023/A:1019623208633
Dawei Lu, Aharon Brodutch, Jihyun Park, Hemant Katiyar, Tomas Jochym-O’Connor, Raymond Laflamme, NMR Quantum Information Processing Electron Spin Resonance (ESR) Based Quantum Computing. pp. 193- 226 ,(2016) , 10.1007/978-1-4939-3658-8_7
Carles Colominas, F.Javier Luque, Jordi Teixidó, Modesto Orozco, CAVITATION CONTRIBUTION TO THE FREE ENERGY OF SOLVATION. COMPARISON OF DIFFERENT FORMALISMS IN THE CONTEXT OF MST CALCULATIONS Chemical Physics. ,vol. 240, pp. 253- 264 ,(1999) , 10.1016/S0301-0104(98)00333-4
Mateus A Goncalves, Fernando C Peixoto, Elaine FF da Cunha, Teodorico C Ramalho, None, Dynamics, NMR parameters and hyperfine coupling constants of the Fe3O4(1 0 0)–water interface: Implications for MRI probes Chemical Physics Letters. ,vol. 609, pp. 88- 92 ,(2014) , 10.1016/J.CPLETT.2014.06.030
L. Fu, J. Luo, L. Xiao, X. Zeng, Experimental realization of discrete fourier transformation on NMR quantum computers Applied Magnetic Resonance. ,vol. 19, pp. 153- 159 ,(2000) , 10.1007/BF03162270
Oleg V. Yazyev, Lothar Helm, Vladimir G. Malkin, Olga L. Malkina, Quantum chemical investigation of hyperfine coupling constants on first coordination sphere water molecule of gadolinium(III) aqua complexes. Journal of Physical Chemistry A. ,vol. 109, pp. 10997- 11005 ,(2005) , 10.1021/JP053825+