The Smallest "Aurophilic Species"

Berger R (2009)
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES 64(4): 388-394.

Journal Article | Published | English

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Abstract
The existence of the C-2v symmetric closed-shell di[gold(1)]hydronium cation [Au2H](+) (1), is predicted. It is shown that I is the smallest possible molecular species containing aurophilic contacts. Equilibrium structural parameters, vibrational frequencies and formation energies of I from Au+ and AuH, have been calculated, employing a series of highly correlated but available standard relativistic ab initio methods up to CCSD(T) level of theory and all-electron basis sets of quadruple-zeta quality with double polarizations. Relativistic effects have been taken into account by employing pseudorelativistic electron core potentials (ECP) or a scalar relativistic treatment using a Douglas-Kroll-Hess Hamiltonian of 2nd, 3rd and 4th order (DKH2, DKH3, DKH4).
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Berger R. The Smallest "Aurophilic Species". ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES. 2009;64(4):388-394.
Berger, R. (2009). The Smallest "Aurophilic Species". ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, 64(4), 388-394.
Berger, R. (2009). The Smallest "Aurophilic Species". ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES 64, 388-394.
Berger, R., 2009. The Smallest "Aurophilic Species". ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, 64(4), p 388-394.
R. Berger, “The Smallest "Aurophilic Species"”, ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, vol. 64, 2009, pp. 388-394.
Berger, R.: The Smallest "Aurophilic Species". ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES. 64, 388-394 (2009).
Berger, Raphael. “The Smallest "Aurophilic Species"”. ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES 64.4 (2009): 388-394.
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