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Investigation of Donor-Acceptor Interactions: A Charge Decomposition Analysis Using Fragment Molecular Orbitals
- S. Dapprich, G. Frenking
- Chemistry
- 1 June 1995
Theory and applications of computational chemistry : the first forty years
- C. E. Dykstra, G. Frenking, Kwang S. Kim, G. Scuseria
- Chemistry
- 2005
Computing Technologies, Theories, and Algorithms. The Making of 40 Years and More of Theoretical and Computational. A Dynamical, Time-Dependent View of Molecular Theory. Computation of Non-covalent…
Energy decomposition analysis
- Moritz von Hopffgarten, G. Frenking
- ChemistryCatalysis from A to Z
- 17 April 2020
The energy decomposition analysis (EDA) is a powerful method for a quantitative interpretation of chemical bonds in terms of three major expressions. The instantaneous interaction energy ΔEint…
The Chemical Bond: Fundamental Aspects of Chemical Bonding
- G. Frenking, S. Shaik
- Chemistry
- 4 June 2014
This is the perfect complement to "Chemical Bonding Across the Periodic Table" by the same editors, who are two of the top scientists working on this topic, each with extensive experience and…
A set of f-polarization functions for pseudo-potential basis sets of the transition metals ScCu, YAg and LaAu
- A. Ehlers, M. Böhme, G. Frenking
- Physics
- 4 June 1993
The nature of the bonding in transition-metal compounds.
- G. Frenking, N. Fröhlich
- Chemistry, MedicineChemical reviews
- 25 January 2000
Synthesis and Characterization of a Neutral Tricoordinate Organoboron Isoelectronic with Amines
- Rei Kinjo, B. Donnadieu, M. A. Celik, G. Frenking, G. Bertrand
- ChemistryScience
- 29 July 2011
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Why is BCl3 a stronger Lewis acid with respect to strong bases than BF3?
- F. Bessac, G. Frenking
- ChemistryInorganic chemistry
- 7 November 2003
Geometries and bond dissociation energies of the complexes Cl(3)B[bond]NH(3) and F(3)B[bond]NH(3) have been calculated using DFT (PW91) and ab initio methods at the MP2 and CCSD(T) levels using large…
Aromaticity in metallabenzenes.
- Israel Fernández, G. Frenking
- ChemistryChemistry
- 6 July 2007
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