Wolfram Koch
Wolfram Koch
Gesellschaft Deutscher Chemiker e.V.
Bestätigte E-Mail-Adresse bei
Zitiert von
Zitiert von
A chemist's guide to density functional theory
W Koch, MC Holthausen
John Wiley & Sons, 2015
On the parameterization of the local correlation functional. What is Becke-3-LYP?
RH Hertwig, W Koch
Chemical Physics Letters 268 (5-6), 345-351, 1997
Encyclopedia of computational chemistry
PR Schleyer
(No Title), 1998
The singlet and triplet states of phenyl cation. A hybrid approach for locating minimum energy crossing points between non-interacting potential energy surfaces
JN Harvey, M Aschi, H Schwarz, W Koch
Theoretical Chemistry Accounts 99, 95-99, 1998
A Comparative Computational Study of Cationic Coinage Metal−Ethylene Complexes (C2H4)M+ (M = Cu, Ag, and Au)
RH Hertwig, W Koch, D Schröder, H Schwarz, J Hrušák, P Schwerdtfeger
The Journal of Physical Chemistry 100 (30), 12253-12260, 1996
Helium chemistry: theoretical predictions and experimental challenge
W Koch, G Frenking, J Gauss, D Cremer, JR Collins
Journal of the American Chemical Society 109 (20), 5917-5934, 1987
How Does Fe+ Activate C−C and C−H Bonds in Ethane? A Theoretical Investigation Using Density Functional Theory
MC Holthausen, A Fiedler, H Schwarz, W Koch
The Journal of Physical Chemistry 100 (15), 6236-6242, 1996
Stabilities and nature of the attractive interactions in HeBeO, NeBeO, and ArBeO and a comparison with analogs NGLiF, NGBN, and NGLiH (NG= He, Ar). A theoretical investigation
G Frenking, W Koch, J Gauss, D Cremer
Journal of the American Chemical Society 110 (24), 8007-8016, 1988
Relativistic effects on bonding in cationic transition-metal-carbene complexes: a density-functional study
C Heinemann, RH Hertwig, R Wesendrup, W Koch, H Schwarz
Journal of the American Chemical Society 117 (1), 495-500, 1995
Energiespeicherung als Element einer sicheren Energieversorgung. Energy Storage Technologies as Options to a Secure Energy Supply.
F Ausfelder, C Beilmann, M Bertau, S Bräuninger, A Heinzel, R Hoer, ...
Chemie Ingenieur Technik (CIT) 87, 2015
SiOH+/HSiO+ and SiOH./HSiO.: gas-phase generation and characterization. A combined neutralization-reionization mass spectrometry and ab initio molecular orbital study
R Srinivas, D Suelzle, W Koch, CH DePuy, H Schwarz
Journal of the American Chemical Society 113 (16), 5970-5975, 1991
The performance of density‐functional/Hartree–Fock hybrid methods: Cationic transition‐metal methyl complexes MCH+ 3 (M= Sc–Cu, La, Hf–Au)
MC Holthausen, C Heinemann, HH Cornehl, W Koch, H Schwarz
The Journal of chemical physics 102 (12), 4931-4941, 1995
The performance of density functional/Hartree-Fock hybrid methods: the bonding in cationic first-row transition metal methylene complexes
MC Holthausen, M Mohr, W Koch
Chemical physics letters 240 (4), 245-252, 1995
The tert-butyl cation (C4H9+) potential energy surface
S Sieber, P Buzek, PR Schleyer, W Koch, JWM Carneiro
Journal of the American Chemical Society 115 (1), 259-270, 1993
Experimental and theoretical studies of gold (I) complexes Au (l)+(l= h2o, CO, nh3, C2H4, c3h6, c4h6, c6h6, c6f6)
D Schroeder, J Hrusak, RH Hertwig, W Koch, P Schwerdtfeger, ...
Organometallics 14 (1), 312-316, 1995
A Theoretical View on Co+-Mediated C−C and C−H Bond Activations in Ethane
MC Holthausen, W Koch
Journal of the American Chemical Society 118 (41), 9932-9940, 1996
Analysis of the structures, infrared spectra, and Raman spectra for methyl, ethyl, isopropyl, and tert-butyl radicals
J Pacansky, W Koch, MD Miller
Journal of the American Chemical Society 113 (1), 317-328, 1991
On the accuracy of density functionals and their basis set dependence: An extensive study on the main group homonuclear diatomic molecules Li2 to Br2
RH Hertwig, W Koch
Journal of Computational Chemistry 16 (5), 576-585, 1995
Helium bonding in singly and doubly charged first-row diatomic cations HeXn+ (X= Li-Ne; n= 1, 2)
G Frenking, W Koch, D Cremer, J Gauss, JF Liebman
The Journal of Physical Chemistry 93 (9), 3397-3410, 1989
Röntgenstrukturuntersuchung von α‐(Trimethylsilyl) benzyllithium· Tetramethylendiamin [C6H5CH (SiMe3) Li· TMEDA] und α‐(Phenylthio)‐benzyllithium· 3 Tetrahydrofuran [C6H5CH …
W Zarges, M Marsch, K Harms, G Frenking, G Boche, W Koch
Chemische Berichte 124 (3), 543-549, 1991
Das System kann den Vorgang jetzt nicht ausführen. Versuchen Sie es später erneut.
Artikel 1–20