wissenschaftliche Publikationen:
- Kalk - das Gespenst in der Wasserleitung
Stephan Matthiesen,
Ralph Puchta, Skeptiker, 1997,10, 49 - 51.
- Exploring {2}-Metallacryptands and {2}-Metallacryptates with Quantum
Chemical Methods
- When (not only) Computer Chemists' Dreams Come
True
Ralph Puchta, Verena Seitz, Nico J. R. van Eikema Hommes, Rolf W.
Saalfrank, J. Mol. Model., 2000, 6, 126 - 132.
- Dissected Nucleus-Independent Chemical Shift Analysis of pi-Aromaticity
and Antiaromaticity.
Paul v. R. Schleyer, Mariappan Manoharan,
Zhi-Xiang Wang, Boggavarapu Kiran, Haijun Jiao, Ralph Puchta, Nico J. R. van
Eikema Hommes, Org. Lett., 2001, 3, 2465 - 2468.
- A Domino Aldol Addition/Hemiketal Formation/Hemiketal Formation/
Epimerization Route to a Heteroadamantane. A Crystal-Structure, NMR, and
Computational Study
Horst Glaser, Ralph Puchta, Nico J. R. van Eikema
Hommes, Dirk Leusser, Alexander Murso, Dietmar Stalke, Walter Bauer, Rolf W.
Saalfrank, Helv. Chim. Acta, 2002, 85, 3828 - 3841.
- 2-Pyridinethiol/2-Pyridinethione Tautomeric Equilibrium. A Comparative
Experimental and Computational Study
Damian Moran, Kengkaj
Sukcharoenphon, Ralph Puchta, Henry F. Schaefer, III, Paul v. R. Schleyer,
Carl D. Hoff J. Org. Chem., 2002, 67, 9061 - 9069.
- Shpol'skii spectroscopy and vibrational analysis of
[N]phenylenes
Carsten Dosche, Michael U. Kumke, F. Ariese, A.
N. Bader, C. Gooijer, P. I. Dosa, S. Han, O. Š. Miljanić, K. Peter C.
Vollhardt, Ralph Puchta, Nico J. R. van Eikema Hommes, Phys. Chem. Chem.
Phys, 2003, 5, 4563 - 4569.
- Desymmetrisation of C2-symmetric
(2S,3S)-diazidobutane-1,4-diol with benzaldehyde
Andreas Scheurer,
Walter Bauer, Frank Hampel, Christine Schmidt, Rolf W. Saalfrank, Paul Mosset,
Ralph Puchta, Nico J. R. van Eikema Hommes, Tetrahedron: Asymmetry,
2004, 15, 867 - 872.
- Synthesis, Structure, and Dynamics of Six-Membered Metallacoronands
and Metallodendrimers of Iron and Indium
Rolf W. Saalfrank, Christian
Deutscher, Harald Maid, Ayuk M. Ako, Stefan Sperner, Takayuki Nakajima, Walter
Bauer, Frank Hampel, Bernd A. Heß, Nico J. R. van Eikema Hommes, Ralph Puchta,
Frank W. Heinemann, Chem. Eur. J., 2004, 10, 1899 - 1905.
Übersicht
der Titelbilder
- Deuteration effects on the vibronic structure of the fluorescence
spectra and the internal conversion rates of triangular [4]phenylene
Carsten Dosche, Michael U. Kumke, Hans-Gerd Löhmannsröben, F. Ariese, A. N.
Bader, C. Gooijer, O. Š. Miljanić, M. Iwamoto, K. Peter C. Vollhardt, Ralph
Puchta, Nico J. R. van Eikema Hommes, Phys. Chem. Chem. Phys,
2004, 6, 5476 - 5483.
- Evidence for Associative Ligand Exchange Processes on Solvated Lithium
Cations
Ralph Puchta, Michael Galle, Nico van Eikema Hommes, Ewa
Pasgreta, Rudi van Eldik, Inorg. Chem., 2004, 43, 8227 -
8229.
- Investigation of a Putative Möbius Aromatic Hydrocarbon. The Effect of
Benzannelation on Möbius [4 n]Annulene Aromaticity
Claire Castro,
Zhongfang Chen, Chaitanya S. Wannere, Haijun Jiao, William L. Karney, Michael
Mauksch, Ralph Puchta, Nico J. R. van Eikema Hommes, Paul von R. Schleyer,
J. Am. Chem. Soc., 2005, 127, 2425 - 2432.
- Evidence for Interchange Ligand-Exchange Processes on Solvated
Beryllium Cations
Ralph Puchta, Nico J. R. van Eikema Hommes, Rudi
van Eldik, Helv. Chim. Acta, 2005, 88, 911 - 922.
- Möbiusaromat - doch nicht aromatisch
Ralph Puchta Chem.
unserer Zeit, 2005, 39, 161.
- Influence of the Conformation of Salen Complexes on the Stereochemistry
of the Asymmetric Epoxidation of Olefins
Andreas Scheurer, Harald Maid,
Frank Hampel, Rolf W. Saalfrank, Loic Toupet, Paul Mosset, Ralph Puchta, Nico
J. R. van Eikema Hommes, Eur. J. Org. Chem., 2005, 2566 -
2574.
- Mechanistic studies on the formation of Pt(II) hydroformylation
catalysts in imidazolium-based ionic liquids
Peter Illner, Achim Zahl,
Ralph Puchta, Nico van Eikema Hommes, Peter Wasserscheid, Rudi van Eldik,
J. Organomet. Chem., 2005, 690, 3567 - 3576.
- Transition-State Effects of Ionic Liquids in Substitution Reactions of
PtII Complexes
Christian F. Weber, Ralph Puchta, Nico van
Eikema Hommes, Peter Wasserscheid, Rudi van Eldik, Angew. Chem.,
2005, 117, 6187 - 6192; Angew. Chem. Int. Ed., 2005,
44, 6033 - 6038.
- Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity
Criterion
Zhongfang Chen, Chaitanya S. Wannere, Cl茅mence Corminboeuf,
Ralph Puchta, Paul von Ragu茅 Schleyer, Chem. Rev., 2005,
105, 3842 - 3888.
- Experimental and Theoretical Approaches to the Protonation of Thiourea:
A Convenient Nucleophile in Coordination Chemistry Revisited
Wolfgang
C. Schießl, Nadine K. Summa, Christian F. Weber, Sonja Gubo, Carlos
Dücker-Benfer, Ralph Puchta, Nico J. R. van Eikema Hommes, Rudi van Eldik,
Z. Anorg. Allg. Chem., 2005, 631, 2812 - 2819.
- Which NICS Aromaticity Index for Planar pi Rings Is Best?
Hossein Fallah-Bagher-Shaidaei, Chaitanya S. Wannere, Cl茅mence Corminboeuf,
Ralph Puchta, Paul v. R. Schleyer, Org. Lett., 2006,8,
863 - 866.
- Thermodynamic and Kinetic Studies on Reactions of Pt(II) Complexes with
Biologically Relevant Nucleophiles
Nadine Summa, Wolfgang Schiessl,
Ralph Puchta, Nico van Eikema Hommes, Rudi van Eldik, Inorg. Chem.,
2006, 45, 2948 - 2959.
- Rational Design of Cation Hosts - Prediction of Cation Selectivity by
Quantum Chemical Calculations
Michael Galle, Ralph Puchta, Nico J. R.
van Eikema Hommes, Rudi van Eldik, Z. Phys. Chem., 2006,
220, 511 - 523.
- A new enantiomerization mechanism for tripodal penta-coordinate
ZnII(nta) complexes. Theoretical clarification of the observed
1H NMR spectrum
Ralph Puchta, Nico van Eikema Hommes, Roland
Meier, Rudi van Eldik, Dalton Trans., 2006, 3392 - 3395.
Übersicht
der Titelbilder
- The formation of endo-complexes between calixarenes and amines 脙鲁 a
reinvestigation
Ralph Puchta, Tim Clark, Walter Bauer, J. Mol.
Mod., 2006, 12, 739 - 747.
- Quantum Chemical Analysis of the Enantiomerisation Mechanism of
Complexes of the Type [MII(XU)4]F+ (M = Pt,
Pd, Ni; X = S, Se, Te; U = urea)
Ralph Puchta, Roland Meier, Nico van
Eikema Hommes, Rudi van Eldik, Eur. J. Inorg. Chem., 2006, 4063
- 4067.
- Protonen on Tour 脙卤 DFT-Studie zur H+-Wanderung in [1.1.1]-
und [2.2.2]-Cryptanden
Ralph Puchta, Michael Galle, Nico J. R. van
Eikema Hommes, Z. Naturforsch., 2006, 61b, 1327 - 1334.
- Auff&盲uml;delung von Caesiumionen: Metall-, Gast- und Ligandenkontrolle in
der supramolekularen Koordinationschemie
Rolf W. Saalfrank, Andreas
Scheurer, Ralph Puchta, Frank Hampel, Harald Maid, Frank W. Heinemann,
Angew. Chem., 2007, 119, 269 - 272; Angew. Chem. Int.
Ed. Engl., 2007, 46, 265 - 268.
- Searching for Stable, Five-Coordinate Aquated Al(III) Species. Water
Exchange Mechanism and Effect of pH.
Hans Hanauer, Ralph Puchta,
Timothy Clark, Rudi van Eldik, Inorg. Chem., 2007, 46,
1112 - 1122.
- Host-Guest Complexes of Oligopyridine Cryptands: Prediction of Ion
Selectivity by Quantum Chemical Calculations
Ralph Puchta, Rudi van
Eldik, Eur. J. Inorg. Chem., 2007, 1120 - 1127.
- Possible Biotransformation Reactions of Polynuclear Pt(II)
Complexes
Nadine Summa, Joachim Maigut, Ralph Puchta, Rudi van Eldik,
Inorg. Chem., 2007, 46, 2094 - 2104.
- The Stereostructure of Porphyra-334: An Experimental and Calculational
NMR Investigation. Evidence for an Efficient Proton Sponge
Manfred
Klisch, Peter Richter, Ralph Puchta, Donat-P. H&盲uml;der, Walter Bauer, Helv.
Chim. Acta, 2007, 90, 488 - 511.
- Systematic Counterion Tuning of the Solid-State Structure of
[Pt(thiourea)4]2+
Wolfgang Schiessl, Ralph
Puchta, Živadin D. Bugarčić, Frank W. Heinemann, Rudi van Eldik, Eur. J.
Inorg. Chem., 2007, 1390 - 1404.
- Die bekannten Unbekannten - Alkali- und Erdalkalimetalle
Peter
Illner, Ralph Puchta, Wolfgang Schiessl, Unterricht Chemie,
2007, 18, 4 - 8.
- Water Exchange on Seven-Coordinate Mn(II) Complexes with Macrocyclic
Pentadentate Ligands: Insight in the Mechanism of Mn(II) SOD Mimetics.
Anne Dees, Achim Zahl, Ralph Puchta, Nico J. R. van Eikema Hommes, Frank W.
Heinemann, Ivana Ivanović-Burmazović, Inorg. Chem., 2007,
46, 2459 - 2470.
- Ligand-Exchange Processes on Solvated Lithium Cations IV: Acetonitrile
and Hydrogen Cyanide
Ewa Pasgreta, Ralph Puchta, Achim Zahl, Rudi van
Eldik, Eur. J. Inorg. Chem., 2007, 1815 - 1822.
- Ligand Exchange Processes on Solvated Lithium Cations II. Complexation
by Cryptands in gamma-Butyrolactone as Solvent
Ewa Pasgreta, Ralph
Puchta, Michael Galle, Nico van Eikema Hommes, Achim Zahl, Rudi van Eldik,
J. Incl. Phenom. Macrocycl. Chem., 2007, 58, 81 - 88.
- Influence of the bridging ligand on the substitution behaviour of
dinuclear Pt(II) complexes. An experimental and theoretical approach
Hakan Ertürk, Andreas Hofmann, Ralph Puchta, Rudi van Eldik, Dalton
Trans., 2007, 2295 - 2301.
- Ligand-Exchange Processes on Solvated Lithium Cations III: DMSO and
Water/DMSO Mixtures
Ewa Pasgreta, Ralph Puchta, Michael Galle, Nico
van Eikema Hommes, Achim Zahl, Rudi van Eldik, ChemPhysChem,
2007, 8, 1315 - 1320.
- Ligand-Exchange Processes on Solvated Lithium Cations V: Complexation
by Cryptands in Acetone as Solvent
Ewa Pasgreta, Ralph Puchta, Achim
Zahl, Rudi van Eldik Eur. J. Inorg. Chem., 2007, 3067 - 3076.
- Seven-Coordinate Iron Complex as a Ditopic Receptor for Lithium Salts:
Study of Host-Guest Interactions and Substitution Behavior
David
Sarauli, Vesselina Popova, Achim Zahl, Ralph Puchta, Ivana
Ivanović-Burmazović, Inorg. Chem., 2007, 46, 7480 - 7860.
- Kinetics and mechanism of the substitution reactions of
[PtCl(bpma)]+, [PtCl(gly-met- S,N,N )] and their aqua analogues
with l -methionine, glutathione and 5'-GMP
Živadin D. Bugarčić,
Jovanna Rosić, Biljana Petrović, Nadine Summa, Ralph Puchta, Rudi van Eldik,
J. Biol. Inorg. Chem., 2007, 12, 1141 - 1150.
- Host-Guest Complexes of Bicyclic Hexaamine Cryptands - Prediction of
Ion Selectivity by Quantum Chemical Calculations. III.
Ralph Puchta,
Roland Meier, Rudi van Eldik, Aust. J. Chem., 2007, 60,
889 - 897.
Übersicht
der Titelbilder
- Ligand Exchange Processes on Solvated Beryllium Cations. II)
[Be(solvent)(12-Crown-4)]2+
Ralph Puchta, Rudi van Eldik,
Z. Anorg. Allg. Chem., 2008, 634, 735 - 739.
- Host-guest complexes of mixed glycol-phenanthroline cryptands:
prediction of ion selectivity by quantum chemical calculations IV
Ralph
Puchta, Rudi van Eldik, J. Incl. Phenom. Macrocycl. Chem., 2008,
60, 383 - 392.
- Novel Iron(III) Porphyrazine Complex. Complex Speciation and Reactions
with NO and H2O2
Alexander Theodoridis, Joachim
Maigut, Ralph Puchta, Evgeny V. Kudrik, Rudi van Eldik, Inorg. Chem.,
2008, 47, 2994 - 3013.
- Substitution behaviour of amine-bridged dinuclear Pt(II) complexes with
bio-relevant nucleophiles
Hakan Ertürk, Joachim Maigut, Ralph Puchta,
Rudi van Eldik, Dalton Trans., 2008, 2759 - 2766.
- Bicyclic diironcryptates with mobile guest cations: A new class of
solid ionic conductors
Ralph Puchta, Bernhard Roling, Andreas Scheurer,
Verena Weiskopf, Frank Hampel, Nico J. R. van Eikema Hommes, Hans-Ulrich
Hummel, Solid State Ionics, 2008, 179, 489 - 494.
- Die Kristallstruktur von [BeCl2(15-Krone-5)]
Bernhard
Neumüller, Kurt Dehnicke, Ralph Puchta, Z. Anorg. Allg. Chem.,
2008, 634, 1473 - 1476.
- Experimental and computational studies of two new mono- and dinuclear
iridium complexes containing a Buchwald biphenyl phosphine ligand
Lutz
Dahlenburg, Ralf Menzel, Ralph Puchta, Frank W. Heinemann, Inorg. Chim.
Acta, 2008, 361, 2623 - 2630.
- Ligand-Exchange Processes on Solvated Beryllium Cations. III) Which
Model Reaction is Preferable for Quantum-Chemical Investigations of a
Water-Exchange Mechanism?
Ralph Puchta, Rudi van Eldik, Helv. Chim.
Acta, 2008, 91, 1063 - 1071.
- Mechanistic Studies on Fast Ligand Substitution Reactions of Pt(II) in
Different Ionic Liquids: Role of Solvent Polarity and Ion-Pair Formation
Svetlana Begel, Peter Illner, Simon Kern, Ralph Puchta, Rudi van Eldik,
Inorg. Chem., 2008, 47, 7121 - 7132.
- Ligand Exchange Processes on Solvated Beryllium Cations. IV)
[Be(H2O)2(imidazole-based Chelate)]
Ralph
Puchta, Rudi van Eldik, Z. Anorg. Allg. Chem., 2008, 634,
1915 - 1920.
- Why do Cationic Hydridoiridium(III) Complexes with ß-Aminophosphane
Ligands Favour the Transfer Hydrogenation of Ketones over the Direct
"H2- Hydrogenation"? A Computational Approach
Ralph
Puchta, Lutz Dahlenburg, Timothy Clark, Chem. Eur. J., 2008,
14, 8898 - 8903.
- Template and pH-Mediated Synthesis of Tetrahedral Indium Complexes [Cs
in {In4(L)4}]+ and
[In4(HNL)4]4+: Breaking the Symmetry of
N-Centered C3 (L)3- to Give Neutral
[In4(L)4]
Rolf W. Saalfrank, Harald Maid,
Andreas Scheurer, Frank W. Heinemann, Ralph Puchta, Walter Bauer, Daniel
Stern, Dietmar Stalke, Angew. Chem., 2008, 120, 9073 -
9077; Angew. Chem. Int. Ed. Engl., 2008, 47, 8941 -
8945.
- Metal ion-catalyzed oxidative degradation of Orange II by
H2O2. High catalytic activity of simple manganese
salts
Erika Ember, Sabine Rothbart, Ralph Puchta, Rudi van Eldik,
New. J. Chem., 2009, 33, 34 - 49.
Übersicht
der Titelbilder
- Fast Substitution Reactions of Pt(II) in Different Ionic Liquids.
Reactivity Control by Anionic Components
Peter Illner, Svetlana Begel,
Simon Kern, Ralph Puchta, Rudi van Eldik, Inorg. Chem, 2009,
48, 588 - 597.
- Hydrogen Cyanide Exchange on [Al(HCN)6]3+ - A DFT
Study
Ralph Puchta, Basam M. Alzoubi, Rudi van Eldik, Z. Anorg.
Allg. Chem., 2009, 635, 434 - 438.
- Mechanistic behaviour of alkylcobaloximes and imino-oxime complexes
related to vitamin B12
Basam M. Alzoubi, Fanny Vidali,
Ralph Puchta, Carlos Dücker-Benfer, Alessandro Felluga, Lucio Randaccio,
Giovanni Tauzher, Rudi van Eldik, Dalton Trans., 2009, 2392 -
2399.
- Synthesis, Characterization, Thermodynamic and Kinetic Properties of a
New Series of Dinuclear PtII Complexes
Hakan Ertürk,
Ralph Puchta, Rudi van Eldik, Eur. J. Inorg. Chem., 2009, 1331
- 1338 .
- Is bis(trifluoromethylsulfonyl)amide an innocent anion? X-Ray structure
data and DFT calculations
Peter Illner, Ralph Puchta, Frank W.
Heinemann, Rudi van Eldik, Dalton Trans., 2009, 2795 - 2801.
- Equilibrium and Kinetic Studies of the Reactions between
Aqua[1-(2-aminoethyl)piperazine]palladium(II) and Biologically Relevant
Nucleophiles
Tanja Soldatović, Mohamed Shoukry, Ralph Puchta, Živadin
D. Bugarčić, Rudi van Eldik, Eur. J. Inorg. Chem., 2009, 2261 -
2270.
- Ligand Exchange Processes on the Smallest Solvated Alkali and Alkaline
Earth Metal Cations: An Experimental and Theoretical Approach
Ralph
Puchta, Ewa Pasgreta, Rudi van Eldik, Adv. Inorg. Chem.,
2009, 61, 523 - 571.
- The Effect of Perfluorination on the Aromaticity of Benzene and
Heterocyclic Six-Membered Rings
Judy I. Wu, Frank G. Pühlhofer, Paul
von R. Schleyer, Ralph Puchta, Boggavarapu Kiran, Michael Mauksch, Nico J. R.
van Eikema Hommes, Ibon Alkorta, Jos茅 Elguero, J. Phys. Chem. A,
2009, 113, 6789 - 6794.
- (Ph4P)2[Be3μ
-OH)3(H2O)6]Cl5: Kristallstruktur
und DFT-Rechnungen
Ralph Puchta, Bernhard Neumüller, Kurt Dehnicke,
Z. Anorg. Allg. Chem., 2009, 635, 1169 - 1199.
- Chelate electronic properties control the redox behaviour and
superoxide reactivity of seven-coordinate manganese(II) complexes
Gao-Feng Liu, Katharina Dürr, Ralph Puchta, Frank W. Heinemann, Rudi van
Eldik, Ivana Ivanović-Burmazović, Dalton Trans., 2009, 6292 -
6295.
- Ligand Exchange Processes on Solvated Zinc Cations - DFT Analysis of
Hydrogen Cyanide Exchange on [Zn(HCN)6]2+
Basam
M. Alzoubi, Ralph Puchta, Rudi van Eldik, Z. Anorg. Allg. Chem.,
2009, 635, 1536 - 1540.
- A麓Butterfly麓-Shaped Water Tetramer in a Cu4 Complex
Supported by a Hydrazone Ligand: Synthesis, Crystal Structure,
MagneticProperties, and Quantum Chemical Study
Sambuddha Banerjee,
Soma Sen, Joy Chakraborty, Ray J. Butcher, Carlos J. G贸mez Garc铆a, Ralph
Puchta, Samiran Mitra, Aust. J. Chem., 2009, 62, 1614 -
1621.
- Studies on an iron(III)-peroxo porphyrin. Iron(III)-peroxo or
iron(II)-superoxo?
Katharina Duerr, Julianna Olah, Roman Davydov,
Michael Kleimann, Jing Li, Nina Lang, Ralph Puchta, Eike Hübner, Thomas
Drewello, Jeremy N. Harvey, Norbert Jux, Ivana Ivanović-Burmazović, Dalton
Trans., 2010, 39, 2049 - 2056.
- Ligand Exchange Processes on the Solvated Zinc Cation II.
[Zn(H2O)4L]2+ . 2 H2O
with L = NH3, NH2(CH3),
NH(CH3)2, and N(CH3)3
Basam M. Alzoubi, Ralph Puchta, Rudi van Eldik, Aust. J. Chem.,
2010, 63, 236 - 244.
- MnII - A fascinating oxidation catalyst: Mechanistic insight
into the catalyzed oxidative degradation of organic dyes by
H2O2
Erika Ember, Hanaa Asaad Gazzaz, Sabine
Rothbart, Ralph Puchta, Rudi van Eldik, Appl. Catal. B: Environmental,
2010, 95, 179 - 191.
- Sind Metalloprotonencryptanden möglich? - DFT-Studie zur
Protonenaffinit&盲uml;t von [2.2.2]-analogen Metallocryptanden
Ralph
Puchta, Andreas Scheurer, Z. Naturforsch., 2010, 65b,
231 - 237.
- Five-coordinate Zinc(II) Complexes Containing Sterically Demanding
Bio-mimetic N3S2 Ligands. Syntheses, Characterization
and DFT Calculations
Shaban Y. Shaban, Ralph Puchta, Rudi van Eldik,
Z. Naturforsch., 2010, 65b, 251 - 257.
- Ligand Exchange Processes on Solvated Lithium Cations. VI.
Determination of Coordination Numbers by Ligand Substitution and
7Li NMR
Matthias Schmeisser, Achim Zahl, Andreas Scheurer,
Ralph Puchta, Rudi van Eldik, Z. Naturforsch., 2010, 65b,
405 - 413.
Übersicht
der Titelbilder
- Mesomerization of S4-Symmetric Tetrahedral Chelate Complex
[In4(L3)4]: First-Time Monitored by
Temperature-Dependent 1H NMR Spectroscopy
Rolf W. Saalfrank,
Harald Maid, Andreas Scheurer, Ralph Puchta, Walter Bauer, Eur. J. Inorg.
Chem., 2010, 2903 - 2906.
- Ligand-Exchange Processes on Solvated Zinc Cations: Water Exchange on
[Zn(H2O)4(L)]2+ 2 H2O
(L=Heterocyclic Ligand)
Basam M. Alzoubi, Ralph Puchta, Rudi van Eldik,
Chem. Eur. J., 2010, 16, 7300 - 7308.
- X-ray structure analysis and DFT study of a chiral
(salen)MnIII complex toward understanding of inversion of
enantioselection in epoxidation catalysts
Andreas Scheurer, Ralph
Puchta, Frank Hampel, J. Coord. Chem., 2010, 63, 2868 -
2878.
- Structural study of 2-pyridine-derived N(4)-p-tolyl thiosemicarbazone
zinc(II) complexes - DFT analysis
Ralph Puchta, Shaban Y. Shaban, Hanaa
Mansour, Basam M. Alzoubi, J. Coord. Chem., 2010, 63,
2879 - 2887.
- [(BeCl2)2(18-Krone-6)] und sein Hydrolyseprodukt
[{Be3
(μ-OH)3(H2O)6}-(18-Krone-6)]Cl3脗路3H2O:
Kristallstrukturen und DFT-Rechnungen.
Ralph Puchta, Ren茅 Kolbig,
Frank Weller, Bernhard Neumüller, Werner Massa, Kurt Dehnicke, Z. Anorg.
Allg. Chem., 2010, 636, 2364 - 2371.
- Kinetic Studies on the Reactions of Different Bifunctional Platinum(II)
Complexes with Selected Nucleophiles
Jovana Bogojeski, Živadin D.
Bugarčić, Ralph Puchta, Rudi van Eldik, Eur. J. Inorg. Chem.,
2010, 5439 - 5445.
- [Be3(μ3-O)3(MeCN)6{Be(MeCN)3}3](I)6
- ein Berylliumkomplex mit Cyclo-(Be3O3)-Kern und sein
Hydrolyseprodukt [Be(H2O)4](I)2脗路2MeCN
Ralph Puchta, Bernhard Neumüller, Kurt Dehnicke, Z. Anorg. Allg.
Chem., 2011, 637, 67 - 74).
- How or not to calculate Ni(II) Werner-type complexes: evaluation of
quantum chemical methods
Markus Walther, Basam M. Alzubi, Ralph Puchta,
Gerald Linti, Roland Meier, Rudi van Eldik, J. Coord. Chem.,
2011, 64, 18 - 29.
- Ligand Exchange Processes on Solvated Beryllium Cations V. Water
Exchange on [Be(X)(H2O)3]+ (X:
H-,F-, Cl-, Br,
OH, CN-, NCNCN-)
Ana Budimir,
Markus Walther, Ralph Puchta, Rudi van Eldik Z. Anorg. Allg. Chem.,
2011, 637, 515 - 522.
- A brighter beryllium
Ralph Puchta Nature Chemistry,
2011, 3, 416.
- Mechanistic investigation of the base-promoted
cycloselenoetherification of pent-4-en-1-ol
Marina D. Rvovic, Vera M.
Divac, Ralph Puchta, Zorica M. Bugarčić J. Mol. Mod., 2011,
17, 1251 - 1257.
- Coordination of 1,10-Phenanthroline and 2,2' -Bipyridine to
Li+ in Different Ionic Liquids. How Innocent Are Ionic Liquids?
Matthias Schmeisser, Frank W. Heinemann, Peter Illner, Ralph Puchta,
Achim Zahl, Rudi van Eldik Inorg. Chem, 2011, 50, 6685
- 6695.
- Thermodynamic and Kinetic Studies on Novel Dinuclear Platinum(II)
Complexes Containing Bidentate N,N-donor ligands
Stephanie Hochreuther,
Ralph Puchta, Rudi van Eldik Inorg. Chem, 2011, 50,
8984 - 8996.
- Ligand Exchange Processes on Solvated Beryllium Cations, VI . Hydrogen
Chalcogenide Exchange on [Be(Chelate)Sol2]2+ (Chelate:
CH3-O-C2H4-O-CH3,
CH3-S-C2H4-S-CH3,
CH3-Se-C2H4-Se-CH3; Sol:
H2O, H2S, H2Se)
Markus Walther,
Carlos Dücker-Benfer, Ralph Puchta Z. Anorg. Allg. Chem., 2011,
637, 1736 - 1740.
- Novel Dinuclear Platinum(II) Complexes Containing Mixed Nitrogen-Sulfur
Donor Ligands
Stephanie Hochreuther, Ralph Puchta, Rudi van Eldik
Inorg. Chem, 2011, 50, 12747 - 12761.
- Thermodynamic and kinetic behaviour of
[Pt(2-methylthiomethylpyridine)(OH2)2]2+
Stephanie Hochreuther, Sharanappa T. Nandibewoor, Ralph Puchta, Rudi van Eldik
Dalton Trans., 2012, 41, 512 - 522.
- Role of π-Acceptor Effects in Controlling the Lability of Novel
Monofunctional Pt(II) and Pd(II) Complexes: Crystal Structure of
[Pt(tripyridinedimethane)Cl]Cl
Biljana Petrović, Živadin D. Bugarčić,
Anne Dees, Ivana Ivanović-Burmazović, Frank W. Heinemann, Ralph Puchta,
Stephan N. Steinmann, Clemence Corminboeuf, Rudi van Eldik Inorg. Chem,
2012, 51, 1516 - 1529.
- Kinetics and mechanism of the reactions of Au(III) complexes with some
biologically relevant molecules
Ana Djeković, Biljana Petrović, Živadin
D. Bugarčić, Ralph Puchta, Rudi van Eldik Dalton Trans., 2012,
41, 3633 - 3641.
- Apparent or real water exchange reactions on
[Zn(H2O)4(L)]2+路2H2O (L =
sp-nitrogen donor ligands)? A quantum chemical investigation
Basam M.
Alzoubi, Markus Walther, Ralph Puchta, Rudi van Eldik Dalton Trans.,
2012, 41, 6932 - 6941.
Übersicht
der Titelbilder
- Ligand exchange processes on solvated beryllium cations VII - water
exchange on cationic
[Be(H2O)3(Ln)]2+n (Ln:
4-O-Py-, Py, 4-(Py)-Py+,
3,5-(Py)2-Py2+, 3,4,5-(Py)3-Py3+)
Markus Walther, Ralph Puchta RSC Adv., 2012, 2,
5815 - 5821.
- Kinetic and Mechanistic Studies of Base-Catalyzed
Phenylselenoetherification of (Z)- and (E)-Hex-4-en-1-ols
Vera M.
Divac, Ralph Puchta, Zorica M. Bugarčić J. Phys. Chem. A, 2012,
116, 7783 - 7790.
- Gutmann Donor and Acceptor Numbers for Ionic Liquids
Matthias
Schmeisser, Peter Illner, Ralph Puchta, Achim Zahl, Rudi van Eldik, Chem.
Eur. J., 2012, 18, 10969 - 10982.
Übersicht
der Titelbilder
- Quantum chemical studies on the enantiomerization mechanism of several
[Zn(py)3(tach)]2+ derivatives
Ralph Puchta,
Basam M. Alzoubi, Roland Meier, Sabah I. Almuhtaseb, Markus Walther, Rudi van
Eldik Dalton Trans., 2012, 41, 14151 - 14156.
- Water exchange on beryllium complexes: part VIII - influence of
neutral electron pair donors
Markus Walther, Ana Budimir, Ralph Puchta
J. Coord. Chem., 2012, 65, 4359 - 4374.
Übersicht der
Titelbilder
- Mechanistic Studies on Water-Exchange Reactions in
[Zn(H2O)4L] 2+路2H2O for L =
sp2, sp3 Oxygen-Donor Ligands: A DFT Approach
Basam M. Alzoubi, Markus Walther, Ralph Puchta, Rudi van Eldik Eur. J.
Inorg. Chem., 2013, 2059 - 2069.
- Host-guest complexes of mixed glycol-bipyridine cryptands: prediction
of ion selectivity by quantum chemical calculations
Svetlana Begel,
Ralph Puchta, Rudi van Eldik Beilstein J. Org. Chem., 2013,
9 1252 - 1268.
- Amine-bridged binuclear palladium(II) complexes with inosine.
Equilibrium studies and DFT calculations
Mahmoud M.A. Mohamed, Immo
Weber, Ralph Puchta, Mohamed M. Shoukry, Rudi van Eldik, J. Coord.
Chem., 2013, 66, 3469 - 3480.
- Coordination of Terpyridine to Li+ in Two Different Ionic
Liquids
Klaus Pokorny, Matthias Schmeisser, Frank Hampel, Achim Zahl,
Ralph Puchta, Rudi van Eldik, Inorg. Chem., 2013, 52,
13167 - 13178.
- Reply to the Comment on the Article "Gutmann Donor and Acceptor
Numbers for Ionic Liquids" (Chem. Eur. J. 2012, 18,
10969 - 10982) by J.-F. Gal and C. Laurence
Matthias Schmeisser, Peter
Illner, Ralph Puchta, Achim Zahl, Rudi van Eldik, Chem. Eur. J.,
2013, 19, 16835 - 16836.
- Quantum chemical investigations of the water exchange mechanism on
[AlIII(H2O)5(L)]2+ as a function
of the donor strength of the anionic L
Basam M. Alzoubi, Immo Weber,
Hans Hanauer, Ralph Puchta, Rudi van Eldik, J. Mol. Model.,
2014, 20, 2083 (11 pages).
- Host-guest complexes of calix[4]tubes - prediction of ion selectivity
by quantum chemical calculations VI
Svetlana Begel, Ralph Puchta,
Rudi van Eldik, J. Mol. Model., 2014, 20, 2200 (11
pages).
- Studies on the reactions of [AuCl4]- with
different nucleophiles in aqueous solution
Mirjana D. Đurović, Ralph
Puchta, Živadin D. Bugarčić, Rudi van Eldik, Dalton Trans.,
2014, 43, 8620 - 8632.
- HCN exchange on [Cu(HCN)4]+: a quantum chemical
investigation
Basam M. Alzoubi, Immo Weber, Markus Walther, Nico van
Eikema Hommes, Ralph Puchta, Rudi van Eldik J. Coord. Chem.,
2014, 67, 2185 - 2194.
- Behavior of Highly Diluted Electrolytes in Strong Electric Fields -
Prevention of Alumina Deposition on Grading Electrodes in HVDC Transmission
Modules by CO2-induced pH-Control
Immo Weber, Bert Mallick,
Matthias Schild, Sabine Kareth, Ralph Puchta, Rudi van Eldik Chem. Eur.
J., 2014, 20, 12091 - 12103.
Übersicht
der Titelbilder
- Mechanism of the reactions of ruthenium(II) polypyridyl complexes with
thiourea, sulfur-containing amino acids and nitrogen-containing
heterocycles
Ana Rilak, Ralph Puchta, Živadin D. Bugarčić,
Polyhedron, 2015, 91, 73 - 83.
- Preparation of candidate reference materials for the determination of
phosphorus containing flame retardants in styrene-based polymers
Thomas Roth, Raquel Urpi Bertran, Andreas Latza, Katrin Andörfer-Lang,
Claudia Hügelschäffer, Manfred Pöhlein, Ralph Puchta, Christian Placht, Harald
Maid, Walter Bauer, Rudi van Eldik, Anal. Bioanal. Chem., 2015,
407, 3023 - 3034.
- Kinetic and mechanistic insight into Lewis base and acid-mediated
phenylselenoetherification of 2,6-dimethyl- hept-5-en-2-ol
Marina D.
Kostić, Vera M. Divac, Ralph Puchta, Zorica M. Bugarčić, Struct.
Chem., 2015, 26, 915 - 922.
- Studies on the Reaction of Iron(II) with NO in a Noncoordinating Ionic
Liquid
Svetlana Begel, Ralph Puchta, Jörg Sutter, Frank W. Heinemann,
Lutz Dahlenburg, Rudi van Eldik, Inorg. Chem., 2015, 54,
6763 - 6775.
- Norfloxacin La(III)-based complex: synthesis, characterization, and
DNA-binding studies
Shaban Y. Shabana, Maged A. El-Kemary, Gehan
Samir, Hosny El-Baradei, Ralph Puchta J. Coord. Chem., 2015,
68, 3247 - 3258.
- Saalfrank-type {Fe2L3} host-guest complexes -
prediction of ion selectivity by quantum chemical calculations VII
Svetlana Begel, Andreas Scheurer, Ralph Puchta J. Coord. Chem.,
2015, 68, 3374 - 3387.
- DNA binding properties, histidine interaction and cytotoxicity studies
of water soluble ruthenium(II) terpyridine complexes
Dejan Lazić,
Aleksandar Arsenijević, Ralph Puchta, Živadin D. Bugarčić, Ana Rilak,
Dalton Trans., 2016, 45, 4633 - 4646.
- Host-Guest Complexes of [TriPip222], the Piperazine Analogue of
[2.2.2]: Prediction of Ion Selectivity by Quantum Chemical Calculations
VIII
Svetlana Begel, Andreas Scheurer, Ralph Puchta, Rudi van Eldik,
Z. Anorg. Allg. Chem., 2016, 642, 395 - 402.
- Crystal structure of K[PtCl3(caffeine)] and its interactions
with important nitrogen-donor ligands
Snežana Jovanović, Ralph Puchta,
Olivera Klisurić, Živadin D. Bugarčić, J. Coord. Chem., 2016,
69, 735 - 747.
Übersicht der
Titelbilder
- Aplicyanins - brominated natural marine products with superbasic
character
Marina D. Kostić, Vera M. Divac, Basam M. Alzoubi, Ralph
Puchta, Z. Naturforsch., 2016, 71b, 883 - 889.
- A Soft Grip: Magnesium Complexes with a Phosphine-Modified Phosphonium
Diylidic Lewis Base
Jens Langer, Irina Kosygin, Ralph Puchta, Jürgen
Pahl, Sjoerd Harder, Chem. Eur. J., 2016, 22, 17425 -
17435.
- Adaptive Behavior of Dynamic Orthoester Cryptands
Oleksandr
Shyshov, René-Chris Brachvogel, Tobias Bachmann, Rubitha Srikantharajah, Doris
Segets, Frank Hampel, Ralph Puchta, Max von Delius, Angew. Chem.,
2017, 129, 794 - 799; Angew. Chem. Int. Ed.,
2017, 56, 776 - 781.
- Switching between Inner- and Outer-Sphere PCET Mechanisms of
Small-Molecule Activation: Superoxide Dismutation and Oxygen/ Superoxide
Reduction Reactivity Deriving from the Same Manganese Complex
Isabell
Kenkel, Alicja Franke, Maximilian Dürr, Achim Zahl, Carlos Dücker-Benfer, Jens
Langer, Milos R. Filipović, Meng Yu, Ralph Puchta, Stephanie R. Fiedler,
Matthew P. Shores, Christian R. Goldsmith, Ivana Ivanović-Burmazović, J.
Am. Chem. Soc., 2017, 139, 1472 - 1484.
- Lithium and Potassium Complexes with dbn- and dbu-Based Enamido
Phosphine Ligands: Syntheses and Applications
Jens Langer, Samuel
Grams, Ralph Puchta, Eur. J. Inorg. Chem., 2017, 2671 - 2681.
- Structure and reactivity of [RuII(terpy)(N^N)Cl]Cl
complexes: consequences for biological applications
Marta Chrzanowska,
Anna Katafias, Olga Impert, Anna Kozakiewicz, Andrzej Surdykowski, Paulina
Brzozowska, Alicja Franke, Achim Zahl, Ralph Puchta, Rudi van Eldik, Dalton
Trans., 2017, 46, 10264 - 10280.
- Redox Behavior of a Dinuclear Ruthenium(II) Complex Bearing an Uncommon
Bridging Ligand: Insights from High-Pressure Electrochemistry
Maximilian Dürr, Johannes Klein, Axel Kahnt, Sabine Becker, Ralph Puchta,
Biprajit Sarkar, Ivana Ivanović-Burmazović, Inorg. Chem., 2017,
56, 14912 - 14925.
- Synthetic Access to Derivatized Mn-Pyane as a Redox-modulated Pool of
SODm
Andreas Scheitler, Felix Friedel, Ralph Puchta, Carlos
Dücker-Benfer, Ivana Ivanović-Burmazović, Z. Anorg. Allg. Chem.,
2018, 644, 713 - 718.
- New monofunctional platinum(II) and palladium(II) complexes: Studies of
the nucleophilic substitution reactions, DNA/BSA interaction, and cytotoxic
activity
Duūan Ćoćić, Snežana Jovanović, SneŽana Radisavljević, Jana
Korzekwa, Andreas Scheurer, Ralph Puchta, Dejan Baskić, Danijela Todorović,
Suzana Popović, Sanja Matić, Biljana Petrović, J. Inorg. Biochem.,
2018, 189, 91 - 102.
- Systematic tuning of the reactivity of [RuII(terpy)(N^N)Cl]Cl
complexes
Marta Chrzanowska, Anna Katafias, Anna Kozakiewicz, Ralph
Puchta, Rudi van Eldik, J. Coord. Chem., 2018, 71,
1761 - 1777.
-
Synthesis of Camphor-Derived Bis(pyrazolylpyridine) Rhodium(III)Complexes: Structure - Reactivity Relationships and Biological Activity
Angelina Petrović, Milan M. Milutinović, Edward T. Petri, Marko Živanović, Nevena Milivojević, Ralph Puchta,
Andreas Scheurer, Jana Korzekwa, Olivera R. Klisurić, Jovana Bogojeski,
Inorg. Chem., 2019, 58, 307 - 319.
-
Prediction of ion selectivity by quantum chemical calculations X: A recent (personal) review
Ralph Puchta, Svetlana Begel, Rudi van Eldik,
Adv. Inorg. Chem., 2019, 73, 445 - 505.
-
A mild and efficient procedure for alkenolsoxyselenocyclization by using ionic liquids
Marina Kostić, Pedro Verdía, Verónica Fernández-Stefanuto, Ralph Puchta, Emilia Tojo,
J. Phys. Org. Chem., 2019, 32, e3928.
Übersicht der Titelbilder
-
Interactions of zinc(II) complexes with 5'-GMP and their cytotoxic activity
Tanja V. Soldatović, Enisa Selimović, Biljana Šmit, Darko Ašanin, Nevena S.Planojević, Snežana D. Marković, Ralph Puchta, Basam M. Alzoubi
J. Coord. Chem., 2019, 72, 690 - 706.
-
Host-Guest Complexes of Dodeka(ethylene)octamine: Prediction of Ion Selectivity by Quantum Chemical Calculations IX
Ralph Puchta, Daniel Walter, Matthias März, Svetlana Begel, Rudi van Eldik,
Z. Anorg. Allg. Chem., 2019, 645, 701 - 705.
Übersicht der Titelbilder
-
Host-guest complexes of the Beer-Can-cryptand: prediction of ion selectivity by quantum chemical calculations XI
Ralph Puchta, Dušan Ćoćić, Martin Michel, Rudi van Eldik
J. Coord. Chem., 2019, 72, 2106 - 2114.
-
Mechanistic insight on the chemistry of potential Pt antitumor agents as revealed by collaborative research performed in Kragujevac and Erlangen
Biljana Petrović, Snezana Jovanović Ralph Puchta, Rudi van Eldik
Inorg. Chim. Acta, 2019, 495, 118953 (1-23).
-
Kinetics, mechanism and density functional theory calculations on base hydrolysis of α-amino acid esters catalyzed by [Pd(AEMP)(H2O)2]2+ (AEMP = 2-(2-aminoethyl)-1-methylpyrrolidine)
Mohamed M. Shoukry, Mohamed R. Shehata, Mona S. Ragab, Dušan Ćoćić, Ralph Puchta, Rudi van Eldik
Reaction Kinetics, Mechanisms and Catalysis, 2020, 129, 613 - 626.
-
Inorganic reaction mechanisms. A personal journey
Colin D. Hubbard, Debabrata Chatterjee, Maria Oszajca, Justyna Polaczek, Olga Impert, Marta Chrzanowska, Anna Katafias,
Ralph Puchta, Rudi van Eldik
Dalton Trans., 2020, 49, 4599 - 4659.
Übersicht der Titelbilder
-
Experimental and quantum chemical study on the DNA/protein binding and the biological activity of a rhodium(III) complex with 1,2,4-triazole as an inert ligand
Angelina Petrović, Marko Živanović, Ralph Puchta, Dušan Ćoćić, Andreas Scheurer, Nevena Milivojevic, Jovana Bogojeski
Dalton Trans., 2020, 49, 9070 - 9085.
-
Studies of the stability, nucleophilic substitution reactions, DNA/BSA interactions, cytotoxic activity, DFT and molecular docking of some tetra- and penta-coordinated gold(III) complexes
Snežana Radisavljević, Ana Đeković Kesić, Dušan Ćoćić, Ralph Puchta, Laura Senft, Milena Milutinović, Nevena Milivojević, Biljana Petrović
New J. Chem., 2020, 44, 11172 - 11187.
-
The influence of the bridgehead in Saalfrank-type cryptands: prediction of ion selectivity by
quantum chemical calculations XII
Jelena Balović, Dušan Ćoćić, Ralph Puchta, Andreas Scheurer, Rudi van Eldik
J. Coord. Chem., 2020, 73, 1701 - 1711.
Übersicht der
Titelbilder
-
Wirt-Gast-Komplexe von [bfu.bfu.bfu]: Vorhersage von Ionenselektivitäten mittels quantenchemischer Rechnungen XIII
Ursula Palmer, Ralph Puchta
Z. Naturforsch., 2020, 75b, 769 - 775.
-
Host-Guest Complexes of Two Isomeric 2,2'-Bioxazole Based {2}-Lehn-Type Cryptands. Prediction of Ion Selectivity by Quantum Chemical Calculations XIV
Dušan Ćoćić, Selina Siegl, Aliya Manaa, Svetlana Begel, Colin D. Hubbard, Ralph Puchta
Macroheterocycles, 2020, 13, 215 - 222.
-
Noble guests in organic cages - encapsulation of noble gases by cryptophane
Dušan Ćoćić, Ralph Puchta, Rudi van Eldik
J. Coord. Chem., 2020, 73, 2602 - 2612.
-
Tuning the lability of a series of Ru(II) polypyridyl complexes: a comparison of experimental-kinetic and DFT-predicted reaction mechanisms
Dušan Ćoćić, Marta Chrzanowska, Anna Katafias, Ralph Puchta, Rudi van Eldik
J. Coord. Chem., 2021, 74, 433 - 443.
-
[3.2.1] and [4.1.1] isomers of Lehn's [2.2.2] Cryptand: Prediction of ion selectivity by quantum chemical calculations XV
Dušan Ćoćić, Aliya Manaa, Selina Siegl, Ralph Puchta, Rudi van Eldik
Z. Anorg. Allg. Chem., 2021, 647, 915 - 921.
-
The proton sponge 1,8-bis(dimethylamino)naphthalene: The quicker-picker-upper also for s-block metal cations?
Utsab Bhattacharyya, Renjith Thomas, Ralph Puchta
Chem. Phys. Lett., 2021, 777, 138735.
-
Quinol-containing ligands enable high superoxide dismutase activity by modulating coordination number, charge, oxidation states and stability of manganese complexes throughout redox cycling
Laura Senft, Jamonica L. Moore, Alicja Franke, Katherine R. Fisher, Andreas Scheitler, Achim Zahl, Ralph Puchta, Dominik Fehn, Sidney Ison, Safaa Sader, Ivana Ivanović-Burmazović, Christian R. Goldsmith
Chem. Sci., 2021, 12, 10483 - 10500.
-
New mononuclear gold(III) complexes: Synthesis, characterization, kinetic, mechanistic, DNA/BSA/HSA binding, DFT and molecular docking studies
Snežana Radisavljević, Andreas Scheurer, Dirk Bockfeld, Dušan Ćoćić, Ralph Puchta, Laura Senft, Marko Pešić, Ivan Damljanović, Biljana Petrović
Polyhedron, 2021, 209, 115446.
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Computational Supramolecular Chemistry Investigated by Pupils and Undergraduate Students
Thomas Capponi, Dušan Ćoćić, Julia Weigel, Tatjana Basina, Basam M. Alzoubi, Rudi van Eldik, Ralph Puchta
Book of Proceedings 1st International Conference on Chemo and Bioinformatics ICCBIKG 2021, 2021, 72 - 80.
-
A theoretical mechanistic study of [K ⊂ [2.2.2]]+ enantiomerization
Jelena Balović, Dušan Ćoćić, Slaðana Ðorðević, Slavko Radenković, Rudi van Eldik, Ralph Puchta
J. Phys. Org. Chem., 2022, 35, e4289.
-
Assessment of biological activity of the caffeine-derived Pt (II) and Pd (II) complexes
Snežana Jovanović-Stević, Dušan Ćoćić, Ralph Puchta, Nevena Gajović, Jovana Bogojeski, Slobodan Jakovljević, Biljana Petrović
Appl. Organomet. Chem., 2022, 36, e6532.
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25 ГOДИHA ИHДEКCA APOMATИУHOCTИ HИКC
Slaðana Ðorðević, Slavko Radenković, Ralph Puchta, Haijun Jiao, Nico J. R. van Eikema Hommes
XEMИJCКИ ПPEГЛEД, 2022, 63, 12 - 16.
-
Investigation of water substitution at RuII complexes by conceptual density function theory approach
Dušan Ćoćić, Biljana Petrović, Ralph Puchta, Marta Chrzanowska, Anna Katafias, Rudi van Eldik
J. Comput. Chem. , 2022, 43, 1161 - 1175.
-
Mechanistic insight on the water exchange mechanism of [Zn(tren)H2O]2+ and related complexes from a DFT study
Basam M. Alzoubi, Dušan Ćoćić, Ralph Puchta, Rudi van Eldik
J. Coord. Chem., 2022, 75, 573 - 586.
-
Detailed Structural Examination, Quantum Mechanical Studies of the Aromatic Compound Solarimfetol and Formation of Inclusion Compound with Cucurbituril
T. Pooventhiran, Mouna Cheriet, Utsab Bhattacharyya, Ahmad Irfan, Ralph Puchtae, S. Sowrirajan, Renjith Thomas
POLYCYCLIC AROMATIC COMPOUNDS., 2022, 42, 5443 - 5455.
-
Dimorpholinoacetylene and Its Use for the Synthesis of Tetraaminocyclobutadiene Species
Lukas Körner, Luong Phong Ho, Ralph Puchta, Amnon Stanger, Matthias Tamm
Chem. Eur. J., 2022, 28, e202202737.
Übersicht der
Titelbilder
-
Calculating stabilization energies for aromatic molecules in schools - quantum chemistry, a valuable tool for teaching and education
Ralph Puchta, Thomas Capponi, Dušan Ćoćić, Basam M. Alzoubi, Ilka Shook
Chemia Naissensis, 2022, 5, 1 - 15.
-
25 years of NICS - much more than nothing!
Ralph Puchta, Slaðana Ðorðević, Slavko Radenković, Haijun Jiao, Nico J. R. van Eikema Hommes
J. Serb. Chem. Soc., 2022, 87, 1439 - 1446.
-
Ligand exchange at tetra-coordinated beryllium centres
Magnus R. Buchner, Dušan Ćoćić, Sergei I. Ivlev, Nils Spang, Matthias Müller, Ralph Puchta
Dalton Trans., 2023, 52, 5287 - 5296.
-
Electronic Structure and Aromaticity of [12]Infinitene. A DFT Study
Slaðana Ðorðević, Dušan Ćoćić, Muntadar A. H. Al-Yassiri, Slavko Radenković, Ralph Puchta
Kragujevac J. Sci. , 2023, 45, 29 - 40.
-
Mechanistic Insights into Superoxide Dismutation Driven by Dinuclear Manganese Complexes: The Role of the Mn2-Core
Andrea Squarcina, Dominik Fehn, Andreas Scheitler, Laura Senft, Alicja Franke, Achim Zahl, Ralph Puchta, Karsten Meyer, Ivana Ivanović-Burmazović
ACS Catal., 2023, 13, 8561 - 8573.
-
Selective Noble Gas Inclusion in Pentagon-Dodecahedral X20-Cages
Christopher Weinert, Dušan Ćoćić, Ralph Puchta, Rudi van Eldik
Molecules, 2023, 28, 5676. (11 Seiten)
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Predicting a New Δ-Proton Sponge-Base of 4,12-Dihydrogen-4,8,12-triazatriangulene through Proton Affinity,
Aromatic Stabilization Energy, and Aromatic Magnetism
Muntadar A. H. Al-Yassiri, Ralph Puchta
ChemPhysChem, 2023, 24, e202200688. (11 Seiten)
-
IRM@Be2+ - quantum chemistry between Bavaria and Šumadija
Ralph Puchta, Dušan Ćoćić
Book of Proceedings 2nd International Conference on Chemo and Bioinformatics ICCBIKG 2023, 2023, 53 - 60.
-
A Personal Account on Inorganic Reaction Mechanisms
Justyna Polaczek, Konrad Kieca, Maria Oszajca, Olga Impert, Anna Katafias,
Debabrata Chatterjee, Dušan Ćoćić, Ralph Puchta, Grazyna Stochel,
Colin D. Hubbard, Rudi van Eldik
Chem. Rec. , 2023, 23, e202300278. (31 Seiten)
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Effective encapsulation of noble and small gases and molecules by tubularene molecule
Christopher Weinert, Dušan Ćoćić, Ralph Puchta, Rudi van Eldik
Z. Anorg. Allg. Chem., 2024, 650, e202300216. (9 Seiten)
-
Host-guest complexes of a cryptand based on 5H-cyclopenta[2,1-b:3,4b']pyridine moieties:
prediction of ion selectivity by quantum chemical calculations XVI
Thomas Capponi, Julia Weigel, Dušan Ćoćić, Basam M. Alzoubi, Rudi van
Eldik, Ralph Puchta
J. Coord. Chem., 2024, 77, 843 - 854.
-
Proton affinity Revisited: Benchmarking computational approaches for accurate predictions
Manjesh Mathew, Ralph Pucht, Renjith Thomas
Computational and Theoretical Chemistry, 2023, 1233, 114477. (7 Seiten)
-
The ion selectivity of the Goedken-Peng cryptand: prediction of ion selectivity by quantum chemical calculations XVII
Julius Jörg, Ralph Puchta, Tanja Soldatović, Majda Kolenović Serezlić, Rudi van Eldik
J. Coord. Chem., 2024, 77, 1256 - 1265.
-
Hybridization makes the difference: [2Oxa.2Oxa.2Oxa] a sp2-Carbon dominated
Lehn-type cryptand - Prediction of ion selectivity by quantum chemical calculations. XVIII
Thomas Capponi, Clemens Bason, Dušan Ćoćić, Ralph Puchta, Rudi van Eldik
J. Coord. Chem., 2024, 77, 1266 - 1274.
-
Investigation of Huisgen's Noble metal catalyst click reaction mechanism for the synthesis of 1,4-disubstituted
1,2,3-triazoles
Ali A Khairbek, Maha I. Al-Zaben, Ralph Puchta, Mohammad Abd Al-Hakim Badawi, Renjith Thomas
Molecular Catalysis, 2024, 566, 114412. (11 Seiten)
-
The curious case of S4N4 - A reinvestigation
Muntadar A. H. Al-Yassiri, Ralph Puchta
Computational and Theoretical Chemistry, 2024, 1240, 114828. (13 Seiten)
-
Investigation of the complete encapsulation process
of the noble gases by cryptophanes
Dušan Ćoćić, Liu Yang, Ralph Puchta, Tiesheng Shi, Rudi van Eldik
J. Comput. Chem. , 2025, 46, e27519. (7. Seiten)
-
Host-guest complexes of two imine based isomeric {2}-
Lehn-type cryptands: prediction of ion selectivity by
quantum chemical calculations XIX
Alan Adel, Ralph Puchta, Dušan Ćoćić,
Majda Kolenović Serezlić, Tanja Soldatović, Rudi van Eldik
J. Coord. Chem., 2025, 78, 152 - 164.
-
Computational study on novel RhCpX (X = CF3,
SiF3, CCl3, SO3H) as promising catalysts in the [3 + 2] azide-alkyne cycloaddition reaction:
insights into mechanistic pathways and reactivity
Ali A. Khairbek, Mohammad Abd-Al Hakim Badawi, Abdullah Y. Alzahrani, Ralph Puchta, Renjith Thomas
Dalton Trans., 2025, 54, 5383 - 5392.
-
New bis-pyrazolate zinc( II) complexes as potential
anticancer drugs: from structure to anticancer
activity
Rušid Hasić, Majda Kolenović Serezlić, Angelina Caković, Jovana Bogojeski, Danijela Nikodijević, Milena Milutinović, Aleksandra Stanojević, Milena Čavić, Andrei V. Egorov, Andrei V. Komolkin, Ilya V. Kornyakov, Andreas Scheurer, Ralph Puchta, Tanja V. Soldatović
New J. Chem., 2025, 49, 5617 - 5632.
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Erstellt am 25.02.2025 von Dr. Ralph Puchta