| 1 |
Towards an accurate gold carbonyl binding energy in AuCO+: Basis set convergence and a comparison between density functional and conventional methods
Dargel TK, Hertwig RH, Koch W, Horn H
Journal of Chemical Physics, 108(10), 3876, 1998 |
| 2 |
Structures and energies of various isomers of dithionous acid, H2S2O4, and of its anion HS2O4-
Drozdova Y, Steudel R, Hertwig RH, Koch W, Steiger T
Journal of Physical Chemistry A, 102(6), 990, 1998 |
| 3 |
How Unstable Are Thiosulfoxides - An Ab-Initio Mo Study of Various Disulfanes Rssr (R=h, Me, Pr, All), Their Branched Isomers R(2)SS, and the Related Transition-States
Steudel R, Drozdova Y, Miaskiewicz K, Hertwig RH, Koch W
Journal of the American Chemical Society, 119(8), 1990, 1997 |
| 4 |
A Comparative Computational Study of Cationic Coinage Metal-Ethylene Complexes (C2H4)M(+) (M=cu, Ag, and Au)
Hertwig RH, Koch W, Schroder D, Schwarz H, Hrusak J, Schwerdtfeger P
Journal of Physical Chemistry, 100(30), 12253, 1996 |
| 5 |
Ab-Initio Study on the Structural-Properties of Hexafluorocyclobutene, 3,3,4,4-Tetrafluorocyclobutene, and Cyclobutene - The Remarkable Length of the C(3)-C(4) Bond
Hertwig RH, Koch W, Maksic ZB
Journal of Physical Chemistry, 99(1), 173, 1995 |
| 6 |
Structures, Energies, and Vibrational-Spectra of Several Isomeric Forms of H2S2O and Me(2)S(2)O - An Ab-Initio Study
Steudel R, Drozdova Y, Hertwig RH, Koch W
Journal of Physical Chemistry, 99(15), 5319, 1995 |
| 7 |
Relativistic Effects on Bonding in Cationic Transition-Metal-Carbene Complexes - A Density-Functional Study
Heinemann C, Hertwig RH, Wesendrup R, Koch W, Schwarz H
Journal of the American Chemical Society, 117(1), 495, 1995 |
