Gernot Frenking

发表

Computational Chemistry

Ralf Tonner, Gernot Frenking, 2006, High Performance Computing in Science and Engineering.

Topological analysis of electron density distribution taken from a pseudopotential calculation

Gernot Frenking, Sergei F. Vyboishchikov, Anibal Sierraalta, 1997, J. Comput. Chem..

New paint and a new engine

Masahiro Ehara, Charles L. Brooks, Gernot Frenking, 2013, J. Comput. Chem..

Foreword

Max C. Holthausen, Gernot Frenking, 2006, J. Comput. Chem..

Nine questions on energy decomposition analysis

Farnaz Heidar-Zadeh, Paul W. Ayers, Roberto Álvarez Boto, 2019, J. Comput. Chem..

Electronic structure of CO—An exercise in modern chemical bonding theory

Gernot Frenking, Christoph Loschen, Andreas Krapp, 2007, J. Comput. Chem..

Thermodynamics and kinetics of initial gas phase reactions in chemical vapor deposition of titanium nitride. Theoretical study of TiCl4 ammonolysis

Gernot Frenking, Stanislav Ya. Umanskii, Konstantin P. Novoselov, 2001, J. Comput. Chem..

Editors' note

Charles L. Brooks, Gernot Frenking, Shigeyoshi Sakaki, 2009, J. Comput. Chem..

Silaacetylene: A possible target for experimental studies

Gernot Frenking, Ralf Stegmann, 1996, J. Comput. Chem..

Letter from the Editors

Charles L. Brooks, Gernot Frenking, Shigeyoshi Sakaki, 2007, J. Comput. Chem..

Editors' preface

Gernot Frenking, Norman L. Allinger, 2001, J. Comput. Chem..

The barrier to the methyl rotation in Cis‐2‐butene and its isomerization energy to Trans‐2‐butene, revisited

Gernot Frenking, Chérif F. Matta, Seyed Abdolreza Sadjadi, 2016, J. Comput. Chem..

Computing technologies, theories, and algorithms. The making of 40 years and more of theoretical and computational chemistry

Gernot Frenking, Gustavo E. Scuseria, Clifford E. Dykstra, 2005 .

Dative and electron‐sharing bonding in transition metal compounds

Gernot Frenking, Peter Schwerdtfeger, Paul Jerabek, 2018, J. Comput. Chem..

Unicorns in the world of chemical bonding models

Gernot Frenking, Andreas Krapp, G. Frenking, 2007, J. Comput. Chem..

Foreword

Richard Dronskowski, Gernot Frenking, 2008, J. Comput. Chem..

Foreword

Sason Shaik, Gernot Frenking, 2007, J. Comput. Chem..

Sommerschule Computational Chemistry auf Mauritius

Gernot Frenking, 2020 .

Donor-acceptor bonding in novel low-coordinated compounds of boron and group-14 atoms C-Sn.

Gernot Frenking, Markus Hermann, G. Frenking, 2016, Chemical Society reviews.

Divalent carbon(0) chemistry, part 2: Protonation and complexes with main group and transition metal Lewis acids.

Ralf Tonner, Gernot Frenking, G. Frenking, 2008, Chemistry.

Rate-determining factors in nucleophilic aromatic substitution reactions.

Gernot Frenking, Einar Uggerud, Israel Fernández, 2010, The Journal of organic chemistry.

Is this a chemical bond? A theoretical study of Ng2@C60 (Ng=He, Ne, Ar, Kr, Xe).

Gernot Frenking, Andreas Krapp, G. Frenking, 2007, Chemistry.

Relative energies of the C2H2S2 isomers 1,2-dithiete and dithioglyoxal: Peculiar basis set dependencies of density functional theory and ab initio methods

Gernot Frenking, Alexey Y. Timoshkin, G. Frenking, 2000 .

Structures and bond energies of the noble gas complexes NgBeO (NgAr, Kr, Xe)

Gernot Frenking, G. Frenking, A. Veldkamp, 1994 .

The bonding of acetylene and ethylene in high-valent and low-valent transition metal compounds

Gernot Frenking, G. Frenking, Ulrich Pidun, 1996 .

Theoretical investigation of the weakly bonded donor—acceptor complexes X3B—H2, X3B—C2H4, and X3B—C2H2 (X = H, F, Cl)

Gernot Frenking, Stefan Fau, G. Frenking, 1999 .

Divalent E(0) compounds (E = Si-Sn).

Gernot Frenking, Nozomi Takagi, G. Frenking, 2009, Chemistry.

Structures, metal-ligand bond strength, and bonding analysis of ferrocene derivatives with group-15 heteroligands Fe(η5-E5)2 and FeCp(η5-E5) (E = N, P, As, Sb). A theoretical study

Gernot Frenking, Matthias Lein, G. Frenking, 2002 .

The interplay between steric and electronic effects in S(N)2 reactions.

Gernot Frenking, Einar Uggerud, Israel Fernández, 2009, Chemistry.

The Chemical Bond in C2.

Gernot Frenking, Markus Hermann, G. Frenking, 2016, Chemistry.

Donor acceptor complexes of noble gases.

Gernot Frenking, G. Frenking, A. Timoshkin, 2009, Journal of the American Chemical Society.

Light noble gas chemistry: structures, stabilities, and bonding of helium, neon, and argon compounds

Wolfram Koch, Gernot Frenking, Dieter Cremer, 1990 .

Packed to the rafters: filling up C60 with rare gas atoms.

Ralf Tonner, Gernot Frenking, Peter Schwerdtfeger, 2011, Chemphyschem : a European journal of chemical physics and physical chemistry.

Carbodiphosphoranes: the chemistry of divalent carbon(0).

Ralf Tonner, Gernot Frenking, G. Frenking, 2006, Angewandte Chemie.

Is it possible to synthesize a neutral noble gas compound containing a Ng-Ng bond? A theoretical study of H-Ng-Ng-F (Ng = Ar, Kr, Xe).

Gernot Frenking, Israel Fernández, G. Frenking, 2009, Angewandte Chemie.

The EDA Perspective of Chemical Bonding

Gernot Frenking, G. Frenking, F. Bickelhaupt, 2014 .

Structure and Bonding of Low‐Valent (Fischer‐Type) and High‐Valent (Schrock‐Type) Transition Metal Carbene Complexes

Gernot Frenking, Sergei F. Vyboishchikov, G. Frenking, 1998 .

Borylene complexes (BH)L2 and nitrogen cation complexes (N+)L2: isoelectronic homologues of carbones CL2.

Gernot Frenking, Rebecca Sure, Rei Kinjo, 2012, Chemistry.

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

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

Chemical bonding in transition metal carbene complexes

Gernot Frenking, Sergei F. Vyboishchikov, Miquel Solà, 2005 .

Bis(benzene)chromium Is a δ-Bonded Molecule and Ferrocene Is a π-Bonded Molecule†

Gernot Frenking, G. Frenking, Victor M. Rayon, 2003 .

THEORETICAL STUDY OF GAS-PHASE REACTIONS OF FE(CO)5 WITH OH- AND THEIR RELEVANCE FOR THE WATER GAS SHIFT REACTION

Gernot Frenking, Miquel Solà, G. Frenking, 1999 .

Theoretical investigations of small multiply charged cations. III. NeN2

Wolfram Koch, Gernot Frenking, G. Frenking, 1986 .

Divalent carbon(0) compounds

Ralf Tonner, Gernot Frenking, G. Frenking, 2009 .

Phosphane lone-pair energies as a measure of ligand donor strengths and relation to activation energies

Gernot Frenking, Hans Martin Senn, Antonio Togni, 2000 .

No need for a re-examination of the electrostatic notation of the hydrogen bonding: a comment.

Gernot Frenking, Giovanni F Caramori, G. Frenking, 2015, Angewandte Chemie.

Dative and Electron-Sharing Bonding in C2 F4.

Gernot Frenking, Ángel Martín Pendás, José Luis Casals-Sainz, 2018, Chemistry.

Theoretical Studies of Organometallic Compounds. XIX. Complexes of Transition Metals in High and Low Oxidation States with Side-On-Bonded .pi.-Ligands

Gernot Frenking, G. Frenking, Ulrich Pidun, 1995 .

Dative versus electron-sharing bonding in N-oxides and phosphane oxides R3EO and relative energies of the R2EOR isomers (E = N, P; R = H, F, Cl, Me, Ph). A theoretical study.

Gernot Frenking, Tao Yang, G. Frenking, 2018, Physical chemistry chemical physics : PCCP.

Structures and bonding of the sandwich complexes [Ti(eta5-E5)2]2- (E = CH, N, P, As, Sb): a theoretical study.

Gernot Frenking, Matthias Lein, G. Frenking, 2003, Inorganic chemistry.

Experimental and theoretical studies of the infrared spectra and bonding properties of NgBeCO₃ and a comparison with NgBeO (Ng = He, Ne, Ar, Kr, Xe).

Gernot Frenking, Mingfei Zhou, G. Frenking, 2015, The journal of physical chemistry. A.

Carbodicarbenes—divalent carbon(0) compounds exhibiting carbon–carbon donor–acceptor bonds

Ralf Tonner, Gernot Frenking, G. Frenking, 2011 .

Theoretical Studies of Inorganic Compounds. 19 1) Quantum Chemical Investigations of the Phosphane Complexes X3B‐PY3 and X3Al‐PY3 (X = H, F, Cl; Y = F, Cl, Me, CN)

Gernot Frenking, Michael Diedenhofen, Axel Diefenbach, 2002 .

Divalent silicon(0) compounds.

Gernot Frenking, Nozomi Takagi, G. Frenking, 2009, Chemistry.

Theory and applications of computational chemistry : the first forty years

Kwang S. Kim, Gernot Frenking, Gustavo E. Scuseria, 2005 .

Dative bonding in main group compounds

Lili Zhao, Gernot Frenking, Markus Hermann, 2017 .

Structurally sophisticated octahedral metal complexes as highly selective protein kinase inhibitors.

Gernot Frenking, Ronen Marmorstein, Stefan Knapp, 2011, Journal of the American Chemical Society.

Neutral noble gas compounds exhibiting a Xe-Xe bond: structure, stability and bonding situation.

Gernot Frenking, Israel Fernández, G. Frenking, 2012, Physical chemistry chemical physics : PCCP.

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 .

Conformational Analysis with Carbon−Carbon Coupling Constants. A Density Functional and Molecular Mechanics Study

Gernot Frenking, Martin Stahl, Ulrich Schopfer, 1997 .

Y-Conjugated compounds: the equilibrium geometries and electronic structures of guanidine, guanidinium cation, urea, and 1,1-diaminoethylene

Gernot Frenking, Alberto Gobbi, G. Frenking, 1993 .

Why is BCl3 a stronger Lewis acid with respect to strong bases than BF3?

Gernot Frenking, Fabienne Bessac, G. Frenking, 2003, Inorganic chemistry.

Energy decomposition analysis

Gernot Frenking, G. Frenking, Moritz von Hopffgarten, 2020, Catalysis from A to Z.

Comment on "The Quadruple Bonding in C2 Reproduces the Properties of the Molecule".

Gernot Frenking, Markus Hermann, G. Frenking, 2016, Chemistry.

Kinjo Organoboron Isoelectronic with Amines Synthesis and Characterization of a Neutral Tricoordinate

Gernot Frenking, Bruno Donnadieu, Mehmet Ali Celik, 2014 .

New bonding modes of carbon and heavier group 14 atoms Si-Pb.

Ralf Tonner, Gernot Frenking, Nozomi Takagi, 2014, Chemical Society reviews.

Understanding the nature of the bonding in transition metal complexes: from Dewar's molecular orbital model to an energy partitioning analysis of the metal–ligand bond ☆

Gernot Frenking, G. Frenking, 2001 .

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

Wolfram Koch, Gernot Frenking, Dieter Cremer, 1988 .

A Valence Bond Model for Aqueous Cu ( II ) and Zn ( II ) Ions in the AMOEBA Polarizable Force Field

Masahiro Ehara, Charles L. Brooks, Gernot Frenking, 2013 .