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Quantum Chemical Calculations on Positronic Systems
2003The positron, which existence has been foreseen by Dirac theory and his invariant wave equation [1], is the antiparticle of the electron, with the mass and spin equal to those of the electron, but with the opposite (positive) charge. The particle itself has been detected in the cosmic rays by Anderson [2] in 1933, whereas in 1946 Wheeler predicted the ...
Krzysztof Strasburger, Henryk Chojnacki
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Quantum Chemical Calculations of NMR Parameters
2006Abstract: The main goal of this chapter is to provide a basis for understanding basic connections between NMR experiment and in silico computer simulation tech- niques. We outline the capability of modern theoretical approaches to assist with interpretation of experimental NMR data in terms of molecular structure.
Wolfgang Schöfberger +2 more
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Quantum-chemical calculation of NMR chemical shifts
Journal of Structural Chemistry, 1982P. V. Schastnev, A. A. Cheremisin
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Quantum Chemical Calculations and Experimental Investigations of Molecular Actinide Oxides
Chemical Reviews, 2015Laura Gagliardi +2 more
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