Works matching AU Frenking, Gernot

Results: 381

Iron Bispentazole Fe( η5-N5)2, a Theoretically Predicted High-Energy Compound: Structure, Bonding Analysis, Metal-Ligand Bond Strength and a Comparison with the Isoelectronic Ferrocene.

Published in:

Chemistry - A European Journal, 2001, v. 7, n. 19, p. 4155, doi. 10.1002/1521-3765(20011001)7:19<4155::AID-CHEM4155>3.0.CO;2-M

By:

Lein, Matthias;
Frunzke, Jan;
Timoshkin, Alexey;
Frenking, Gernot

Publication type:

Article

π-Donation and Stabilizing Effects of Pnicogens in Carbenium and Silicenium Ions: A Theoretical Study of [C(XH2)3]+ and [Si(XH2)3]+ (X=N, P, As, Sb, Bi).

Published in:

Chemistry - A European Journal, 2001, v. 7, n. 13, p. 2834, doi. 10.1002/1521-3765(20010702)7:13<2834::AID-CHEM2834>3.0.CO;2-E

By:

Rissler, Jörg;
Hartmann, Michael;
Marchand, Christina M.;
Grützmacher, Hansjörg;
Frenking, Gernot

Publication type:

Article

Trends in Molecular Geometries and Bond Strengths of the Homoleptic d10 Metal Carbonyl Cations [M(CO) n] x+ (M x+=Cu+, Ag+, Au+, Zn2+, Cd2+, Hg2+; n=1-6): A Theoretical Study

Published in:

Chemistry - A European Journal, 1999, v. 5, n. 9, p. 2573, doi. 10.1002/(SICI)1521-3765(19990903)5:9<2573::AID-CHEM2573>3.0.CO;2-J

By:

Lupinetti, Anthony J.;
Jonas, Volker;
Thiel, Walter;
Strauss, Steven H.;
Frenking, Gernot

Publication type:

Article

The Nature of the Gallium-Iron Bond in [Ar*GaFe(CO)4].

Published in:

Chemistry - A European Journal, 1999, v. 5, n. 7, p. 2184, doi. 10.1002/(SICI)1521-3765(19990702)5:7<2184::AID-CHEM2184>3.0.CO;2-3

By:

Boehme, Christian;
Frenking, Gernot

Publication type:

Article

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

Published in:

Chemistry - A European Journal, 1998, v. 4, n. 8, p. 1428, doi. 10.1002/(sici)1521-3765(19980807)4:8<1428::aid-chem1428>3.3.co;2-z

By:

Vyboishchikov, Sergei F.;
Frenking, Gernot

Publication type:

Article

Structure and Bonding of Low-Valent (Fischer-Type) and High-Valent (Schrock-Type) Transition Metal Carbyne Complexes.

Published in:

Chemistry - A European Journal, 1998, v. 4, n. 8, p. 1439, doi. 10.1002/(SICI)1521-3765(19980807)4:8<1439::AID-CHEM1439>3.0.CO;2-#

By:

Vyboishchikov, Sergei F.;
Frenking, Gernot

Publication type:

Article

Conformation Design of Hydrocarbon Backbones: A Modular Approach.

Published in:

Chemistry - A European Journal, 1998, v. 4, n. 4, p. 559, doi. 10.1002/(sici)1521-3765(19980416)4:4<559::aid-chem559>3.3.co;2-k

By:

Hoffmann, Reinhard W.;
Stahl, Martin;
Schopfer, Ulrich;
Frenking, Gernot

Publication type:

Article

[HRh(CO)4]-Catalyzed Hydrogenation of Co: A Systematic Ab Initio Quantum-Chemical Investigation of the Reaction Mechanism.

Published in:

Chemistry - A European Journal, 1998, v. 4, n. 3, p. 522, doi. 10.1002/(SICI)1521-3765(19980310)4:3<522::AID-CHEM522>3.0.CO;2-3

By:

Pidun, Ulrich;
Frenking, Gernot

Publication type:

Article

Se2NBr3, Se2NCl5, Se2NCl-6: New Nitride Halides of Selenium(III) and Selenium(IV).

Published in:

Chemistry - A European Journal, 1996, v. 2, n. 11, p. 1373, doi. 10.1002/chem.19960021108

By:

Lau, Carsten;
Neumüller, Bernhard;
Vyboishchikov, Sergei F.;
Frenking, Gernot;
Dehnicke, Kurt;
Hiller, Wolfgang;
Herker, Martin

Publication type:

Article

The Silaguanidinium Cation and the Search for a Stable Silylium Cation in Condensed Phases.

Published in:

Chemistry - A European Journal, 1996, v. 2, n. 7, p. 869, doi. 10.1002/chem.19960020719

By:

Pidun, Ulrich;
Stahl, Martin;
Frenking, Gernot

Publication type:

Article

A Critical Look at Linus Pauling's Influence on the Understanding of Chemical Bonding.

Published in:

Molecules, 2021, v. 26, n. 15, p. 4695, doi. 10.3390/molecules26154695

By:

Pan, Sudip;
Frenking, Gernot

Publication type:

Article

Carbones and Carbon Atom as Ligands in Transition Metal Complexes.

Published in:

Molecules, 2020, v. 25, n. 21, p. 4943, doi. 10.3390/molecules25214943

By:

Zhao, Lili;
Chai, Chaoqun;
Petz, Wolfgang;
Frenking, Gernot;
Canac, Yves;
Santini, Carlo

Publication type:

Article

C(NHC)2: Divalent Carbon(0) Compounds with N-Heterocyclic Carbene Ligands-Theoretical Evidence for a Class of Molecules with Promising Chemical Properties.

Published in:

Asian Journal of Control, 2013, v. 15, n. 6, p. 8695, doi. 10.1002/anie.200701632

By:

Tonner, Ralf;
Frenking, Gernot

Publication type:

Article

The Diels–Alder Reaction from the EDA‐NOCV Perspective: A Re‐Examination of the Frontier Molecular Orbital Model.

Published in:

European Journal of Organic Chemistry, 2019, v. 2019, n. 2/3, p. 478, doi. 10.1002/ejoc.201800888

By:

Fernández, Israel;
Frenking, Gernot

Publication type:

Article

S(NPMe3).

Published in:

Angewandte Chemie International Edition, 1995, v. 34, n. 12, p. 1362, doi. 10.1002/anie.199513621

By:

Folkerts, Hella;
Hiller, Wolfgang;
Herker, Martin;
Vyboishchikov, Sergei F.;
Frenking, Gernot;
Dehnicke, Kurt

Publication type:

Article

Diborylcarbenes as Reactive Intermediates in Double 1,2-Rearrangements with Low Activation Enthalpies.

Published in:

Angewandte Chemie International Edition, 1995, v. 34, n. 12, p. 1340, doi. 10.1002/anie.199513401

By:

Menzel, Matthias;
Winkler, Heinz Jürgen;
Ablelom, Tesfay;
Steiner, Dirk;
Fau, Stefan;
Frenking, Gernot;
Massa, Werner;
Berndt, Armin

Publication type:

Article

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

Published in:

Angewandte Chemie International Edition, 1995, v. 34, n. 3, p. 354, doi. 10.1002/anie.199503541

By:

Dapprich, Stefan;
Frenking, Gernot

Publication type:

Article

Compounds with Planar Tetracoordinate Boron Atoms: Anti van't Hoff/Le Bel Geometries without Metal Centers.

Published in:

Angewandte Chemie International Edition, 1995, v. 34, n. 3, p. 327, doi. 10.1002/anie.199503271

By:

Menzel, Matthias;
Steiner, Dirk;
Winkler, Heinz-Jürgen;
Schweikart, Dieter;
Mehle, Sigrid;
Fau, Stefan;
Frenking, Gernot;
Massa, Werner;
Berndt, Armin

Publication type:

Article

Nonclassical Stabilization of Planar Allenes: Low Rotational Barriers for Allene Double Bonds.

Published in:

Angewandte Chemie International Edition, 1994, v. 33, n. 20, p. 2064, doi. 10.1002/anie.199420641

By:

Steiner, Dirk;
Winkler, Heinz-Jürgen;
Wočadlo, Sigrid;
Fau, Stefan;
Massa, Werner;
Frenking, Gernot;
Berndt, Armin

Publication type:

Article

[ tert-Butylcyanide · Lithium Bis(trimethylsilyl)amide]2, a Model of the Intermediate RCN. MR′ Complex Formed in Reactions of Cyanides RCN with Organometallic Compounds R′M.

Published in:

Angewandte Chemie International Edition, 1993, v. 32, n. 8, p. 1171, doi. 10.1002/anie.199311711

By:

Boche, Gernot;
Langlotz, Ira;
Marsch, Michael;
Harms, Klaus;
Frenking, Gernot

Publication type:

Article

Book Review: Properties of Chemically Interesting Potential Energy Surfaces. (Series: Lecture Notes in Chemistry, Vol. 56.) By D. Heidrich, W. Kleisch, and W. Quapp.

Published in:

Angewandte Chemie International Edition, 1993, v. 32, n. 2, p. 307, doi. 10.1002/anie.199303071

By:

Frenking, Gernot

Publication type:

Article

Se2NCl3 and [Se2NCl2]+ [GaCl4]−, Chloride Nitrides of Trivalent Selenium.

Published in:

Angewandte Chemie International Edition, 1992, v. 31, n. 9, p. 1251, doi. 10.1002/anie.199212511

By:

Wollert, René;
Höllwarth, Antje;
Frenking, Gernot;
Fenske, Dieter;
Goesmann, Helmut;
Dehnicke, Kurt

Publication type:

Article

On the Origin of π-Facial Diastereoselectivity in Addition Reactions of Cyclohexane-Based Systems.

Published in:

Angewandte Chemie International Edition, 1991, v. 30, n. 9, p. 1146, doi. 10.1002/anie.199111461

By:

Frenking, Gernot;
Köhler, Klaus F.;
Reetz, Manfred T.

Publication type:

Article

The Structure of the Trimethylenemethane Dianion and the Question of Y-Aromaticity.

Published in:

Angewandte Chemie International Edition, 1991, v. 30, n. 8, p. 1001, doi. 10.1002/anie.199110011

By:

Gobbi, Alberto;
MacDougall, Preston J.;
Frenking, Gernot

Publication type:

Article

Se4N2, a Novel Selenium Nitride.

Published in:

Angewandte Chemie International Edition, 1991, v. 30, n. 5, p. 577, doi. 10.1002/anie.199105771

By:

Dehnicke, Kurt;
Schmock, Fritjof;
Köhler, Klaus F.;
Frenking, Gernot

Publication type:

Article

Book Review: Reviews in Computational Chemistry. Edited by K. B. Lipkowitz and D. B. Boyd.

Published in:

Angewandte Chemie International Edition, 1991, v. 30, n. 4, p. 452, doi. 10.1002/anie.199104521

By:

Frenking, Gernot

Publication type:

Article

The Structure of Cyclic C6S6 and C6O6.

Published in:

Angewandte Chemie International Edition, 1990, v. 29, n. 12, p. 1410, doi. 10.1002/anieback.199014101

By:

Frenking, Gernot

Publication type:

Article

Phantom Ring-Closing Condensation Polymerization: Towards Antibacterial Oligoguanidines.

Published in:

Macromolecular Rapid Communications, 2011, v. 32, n. 13, p. 994, doi. 10.1002/marc.201100123

By:

Mattheis, Claudia;
Schwarzer, Martin C.;
Frenking, Gernot;
Agarwal, Seema

Publication type:

Article

PPh3/Isocyanide and N2/Isocyanide Exchange: Pathways to Isolable Alkali Metal Keteniminyl Anions.

Published in:

Angewandte Chemie, 2025, v. 137, n. 21, p. 1, doi. 10.1002/ange.202504325

By:

Mondal, Sunita;
Zhang, Yihao;
Duari, Prakash;
Feichtner, Kai‐Stephan;
Das, Arpan;
Zhao, Lili;
Frenking, Gernot;
Gessner, Viktoria H.

Publication type:

Article

Isolation and Structure Elucidation of the Heterocumulene Anions [NCC‐L]− (L=CO, CS, N2).

Published in:

Angewandte Chemie, 2025, v. 137, n. 13, p. 1, doi. 10.1002/ange.202422496

By:

Le Dé, Quentin;
Zhang, Yihao;
Zhao, Lili;
Krischer, Felix;
Feichtner, Kai‐Stephan;
Frenking, Gernot;
Gessner, Viktoria H.

Publication type:

Article

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

Published in:

Molecular Physics, 1999, v. 96, n. 4, p. 519, doi. 10.1080/002689799165387

By:

Fau, Stefan;
Frenking, Gernot

Publication type:

Article

Calculation of 13C NMR chemical shifts and coupling constants for the analysis of conformer populations and relative configuration in flexible molecules.

Published in:

Molecular Physics, 1997, v. 92, n. 3, p. 569, doi. 10.1080/00268979709482128

By:

Stahl, Martin;
Schopfer, Ulrich;
Frenking, Gernot;
Hoffmann, Reinhard W.

Publication type:

Article

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.

Published in:

Molecular Physics, 1996, v. 89, n. 5, p. 1245, doi. 10.1080/002689796173156

By:

Frenking, Gernot;
Dapprich, Stefan;
Kohler, Klaus F;
Koch, Wolfram;
Collins, Jack R

Publication type:

Article

First and second energy derivative analyses for open-shell self-consistent field wavefunctions.

Published in:

Molecular Physics, 1994, v. 82, n. 4, p. 713, doi. 10.1080/00268979400100514

By:

Yamaguchi, Yukio;
Schaefer, Henry F.;
Frenking, Gernot

Publication type:

Article

The strength of a chemical bond.

Published in:

International Journal of Quantum Chemistry, 2022, v. 122, n. 8, p. 1, doi. 10.1002/qua.26773

By:

Zhao, Lili;
Zhi, Minna;
Frenking, Gernot

Publication type:

Article

Corrigendum: Bonding analysis of ylidone complexes EL2 (E = C-Pb) with phosphine and carbene ligands L.

Published in:

Canadian Journal of Chemistry, 2017, v. 95, n. 5, p. 632, doi. 10.1139/cjc-2017-0050

By:

Andrada, Diego M.;
Holzmann, Nicole;
Frenking, Gernot

Publication type:

Article

Bonding analysis of ylidone complexes EL2 (E = C-Pb) with phosphine and carbene ligands L.

Published in:

Canadian Journal of Chemistry, 2016, v. 94, n. 12, p. 1006, doi. 10.1139/cjc-2016-0263

By:

Andrada, Diego M.;
Holzmann, Nicole;
Frenking, Gernot

Publication type:

Article

On the nature of homo- and hetero-dinuclear metal-metal quadruple bonds - Analysis of the bonding situation and benchmarking DFT against wave function methods.

Published in:

Canadian Journal of Chemistry, 2010, v. 88, n. 11, p. 1079, doi. 10.1139/V10-078

By:

Takagi, Nozomi;
Krapp, Andreas;
Frenking, Gernot

Publication type:

Article

The Dewar–Chatt–Duncanson model reversed — Bonding analysis of group-10 complexes [(PMe3)2M–EX3] (M = Ni, Pd, Pt; E = B, Al, Ga, In, Tl; X = H, F, Cl, Br, I).

Published in:

Canadian Journal of Chemistry, 2009, v. 87, n. 10, p. 1470, doi. 10.1139/V09-099

By:

Goedecke, Catharina;
Hillebrecht, Pierre;
Uhlemann, Till;
Haunschild, Robin;
Frenking, Gernot

Publication type:

Article

Bonding in M(NHBMe)2 and M[Mn(CO)5]2 complexes (M=Zn, Cd, Hg; NHBMe=(HCNMe)2B): divalent group 12 metals with zero oxidation state.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 6, p. 1, doi. 10.1007/s00214-021-02751-y

By:

Pan, Sudip;
Zhao, Lili;
Frenking, Gernot

Publication type:

Article

Chemical bonding in the hexamethylbenzene-SO2+ dication.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 3, p. 1, doi. 10.1007/s00214-019-2434-1

By:

Pecher, Lisa;
Pan, Sudip;
Frenking, Gernot

Publication type:

Article

Research expedition of Prof. Eluvathingal D. Jemmis.

Published in:

2012

By:

Bharatam, Prasad;
Frenking, Gernot;
Sastry, G.

Publication type:

Editorial

Hunting dimers.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 3, p. 1, doi. 10.1007/s00214-012-1149-3

By:

Rogachev, Andrey;
Jerabek, Paul;
Klein, Susanne;
Frenking, Gernot;
Hoffmann, Roald

Publication type:

Article

Structures and bonding situation of PbX (X = H, F, Cl, Br and I).

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2011, v. 130, n. 2/3, p. 269, doi. 10.1007/s00214-011-0974-0

By:

Shimizu, Taka;
Frenking, Gernot

Publication type:

Article

A Festschrift in honor of Shigeru Nagase.

Published in:

2011

By:

Slanina, Zdenek;
Frenking, Gernot;
Pulay, Peter;
Sakaki, Shigeyoshi

Publication type:

Editorial

Divalent Pb(0) compounds.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2011, v. 129, n. 3-5, p. 615, doi. 10.1007/s00214-011-0909-9

By:

Takagi, Nozomi;
Frenking, Gernot

Publication type:

Article

Chemical bonding in 'early-late' transition metal complexes [(HN)M-M′(CO)] (M = Ti, Zr, Hf; M′ = Co, Rh, Ir).

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 3, p. 141, doi. 10.1007/s00214-009-0696-8

By:

Krapp, Andreas;
Frenking, Gernot

Publication type:

Article

Analysis of the metal–ligand bonds in [Mo(X)(NH2)3] (X = P, N, PO, and NO), [Mo(CO)5(NO)]+, and [Mo(CO)5(PO)]+.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 120, n. 4-6, p. 351, doi. 10.1007/s00214-008-0435-6

By:

Caramori, Giovanni F.;
Frenking, Gernot

Publication type:

Article

The strength of the σ-, π- and δ-bonds in Re2Cl.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 120, n. 1-3, p. 313, doi. 10.1007/s00214-007-0294-6

By:

Krapp, Andreas;
Lein, Matthias;
Frenking, Gernot

Publication type:

Article

The nature of the chemical bond revisited. An energy partitioning analysis of diatomic molecules E2 ( E = N–Bi, F–I), CO and BF.

Published in:

2005

By:

Esterhuysen, Catharine;
Frenking, Gernot

Publication type:

Correction Notice