Advances in Quantum Mechanics 2013
DOI: 10.5772/55160
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Decoding the Building Blocks of Life from the Perspective of Quantum Information

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Cited by 2 publications
(2 citation statements)
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“…So that, we have computed several reactivity properties such as the ionization potential (IP), the hardness (η) and the electrophilicity index (ω). These properties were obtained at the Hartree-Fock level of theory (HF) in order to employ the Koopmans' theorem (Koopmans, 1933;Janak, 1978) where ε denotes the frontier molecular orbital energies and S stands for the softness of the system. It is worth mentioning that the factor 1/2 in Eq.…”
Section: Information-theoretical Measures and Complexitiesmentioning
confidence: 99%
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“…So that, we have computed several reactivity properties such as the ionization potential (IP), the hardness (η) and the electrophilicity index (ω). These properties were obtained at the Hartree-Fock level of theory (HF) in order to employ the Koopmans' theorem (Koopmans, 1933;Janak, 1978) where ε denotes the frontier molecular orbital energies and S stands for the softness of the system. It is worth mentioning that the factor 1/2 in Eq.…”
Section: Information-theoretical Measures and Complexitiesmentioning
confidence: 99%
“…The same problem exists for sugars which have the D configuration. (Hein and Blackmond, 2011;Zehnacker et al, 2008;Nanda and DeGrado, 2004).…”
Section: Aminoacidsmentioning
confidence: 99%