S. Dapprich

发表

A NEW ONIOM IMPLEMENTATION IN GAUSSIAN98. PART I. THE CALCULATION OF ENERGIES, GRADIENTS, VIBRATIONAL FREQUENCIES AND ELECTRIC FIELD DERIVATIVES

K. Morokuma, M. Frisch, S. Dapprich, 1999 .

Combining Quantum Mechanics Methods with Molecular Mechanics Methods in ONIOM.

Thom Vreven, Keiji Morokuma, Michael J Frisch, 2006, Journal of chemical theory and computation.

A set of f-polarization functions for pseudo-potential basis sets of the transition metals ScCu, YAg and LaAu

Gernot Frenking, Volker Jonas, A. Gobbi, 1993 .

The keto/enol tautomerism of selenoformamide and telluroformamide

G. Frenking, S. Dapprich, 1993 .

A set of d-polarization functions for pseudo-potential basis sets of the main group elements AlBi and f-type polarization functions for Zn, Cd, Hg

G. Frenking, S. Dapprich, V. Jonas, 1993 .

Structure and Bonding of the Transition-Metal Carbonyl Complexes M(CO)5L (M = Cr, Mo, W) and M(CO)3L (M = Ni, Pd, Pt; L = CO, SiO, CS, N2, NO+, CN-, NC-, HCCH, CCH2, CH2, CF2, H2)1

G. Frenking, S. Dapprich, A. Ehlers, 1996 .

Investigation of Donor-Acceptor Interactions: A Charge Decomposition Analysis Using Fragment Molecular Orbitals

Gernot Frenking, G. Frenking, S. Dapprich, 1995 .

Nature of the Metal−Alkene Bond in Platinum Complexes of Strained Olefins

G. Frenking, S. Dapprich, B. Yates, 1999 .

Pseudopotential Calculations of Transition Metal Compounds: Scope and Limitations

G. Frenking, S. Dapprich, V. Jonas, 2007 .

Quantum Mechanical AB Initio Investigation of Metal-Ligand Interactions in Transition-Metal Carbonyl Complexes

G. Frenking, S. Dapprich, A. Ehlers, 1996 .

TRANS-METHYL-AZIDO-BIS(TRIISOPROPYLPHOSPHIN)PLATIN(II), PTN3(CH3)(PIPR3)2

G. Frenking, S. Dapprich, S. Schlecht, 1998 .

Stability of Group 11 Carbonyl Complexes Cl−M−CO (M = Cu, Ag, Au)

S. Dapprich, P. Schwerdtfeger, I. Antes, 1996 .

Ligand Effects in Transition Metal Dihydrogen Complexes: A Theoretical Study1

G. Frenking, S. Dapprich, 1996 .

Theory Does Not Support an Osmaoxetane Intermediate in the Osmium-Catalyzed Dihydroxylation of Olefins

K. Morokuma, S. Dapprich, D. Musaev, 1996 .

Structure and bonding of the remarkable donor acceptor complexes XBeO X NH NMe CO N C H C H H H CO O 3 3 2 2 2 2 4 2 2 2

J. Collins, G. Frenking, S. Dapprich, 1996 .

The calculation of bond dissociation energies of transition metal complexes using isostructural reactions

G. Frenking, S. Dapprich, Ulrich Pidun, 1995 .

Exceptionally low charge trapping enables highly efficient organic bulk heterojunction solar cells

J. V. Ortiz, G. A. Petersson, K., 2020 .

Structure and Bonding of Transition Metal Dihydrogen Complexes [M(CO)5(H2)] (M = Cr, Mo, W)†‡

G. Frenking, S. Dapprich, 1995 .

Structures and C–H bond energies of hydrogenated polycyclic aromatic hydrocarbons

S. Dapprich, R. Ahlrichs, K. May, 2000 .

Structures, C–H and C–CH3 bond energies at borders of polycyclic aromatic hydrocarbons

S. Dapprich, R. Ahlrichs, F. Furche, 2000 .

Structure and Bonding of M(CO)3(H2O), M(CO)5(NH3), and M(CO)5(PH3) (M = Cr, Mo, W)1

G. Frenking, S. Dapprich, J. Uddin, 2000 .

Combining Quantum Mechanics Methods with Molecular Mechanics Methods in ONIOM.

K. Morokuma, M. Frisch, T. Vreven, 2006, Journal of chemical theory and computation.