Dr. Ralph Puchta

2026

• Mathew M., Puchta R., Thomas R.:
  Protonation-Induced Planarization and Aromaticity Enhancement in Diazahelicenes: A Route to Stronger Bases
  In: Journal of Physical Chemistry A 130 (2026), p. 423-432
  ISSN: 1520-5215
  DOI: 10.1021/acs.jpca.5c06393

2025

• Capponi T., Khairbek AA., Ćoćić D., Soldatović T., Puchta R., van Eldik R.:
  Quadratic acid as a structural motive in a Lehn-type cryptand - prediction of ion selectivity by quantum chemical calculations. XX
  In: Kragujevac Journal of Science 47 (2025), p. 69-80
  ISSN: 1450-9636
  DOI: 10.5937/KgJSci2503069C
• Hasić R., Serezlić MK., Caković A., Bogojeski J., Nikodijević D., Milutinović M., Stanojević A., Čavić M., Egorov AV., Komolkin AV., Kornyakov IV., Scheurer A., Puchta R., Soldatović TV.:
  New bis-pyrazolate zinc(ii) complexes as potential anticancer drugs: from structure to anticancer activity
  In: New Journal of Chemistry (2025)
  ISSN: 1144-0546
  DOI: 10.1039/d5nj00043b
• Khairbek AA., Abd-Al Hakim Badawi M., Alzahrani AY., Puchta R., Thomas R.:
  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
  In: Dalton Transactions (2025)
  ISSN: 1477-9226
  DOI: 10.1039/d4dt02970d
• Khairbek AA., Al-Zaben MI., Puchta R., Thomas R.:
  Exploring the influence of halogen-substituted Cp*RuX catalysts on RuAAC [3 + 2] cycloaddition: A quantum mechanical investigation”
  In: Computational and Theoretical Chemistry 1248 (2025), Article No.: 115223
  ISSN: 2210-271X
  DOI: 10.1016/j.comptc.2025.115223
• Ćoćić D., Đorđević S., Radenković S., Puchta R.:
  Anion-π-interaction–a valuable connection in supramolecular chemistry
  In: Journal of Coordination Chemistry (2025)
  ISSN: 0095-8972
  DOI: 10.1080/00958972.2025.2551042

2024

• Al-Yassiri MA., Puchta R.:
  The curious case of S4N4 − A reinvestigation
  In: Computational and Theoretical Chemistry 1240 (2024), Article No.: 114828
  ISSN: 2210-271X
  DOI: 10.1016/j.comptc.2024.114828
• Khairbek AA., Al-Zaben MI., Puchta R., Badawi MAAH., Thomas R.:
  Investigation of Huisgen's Noble metal catalyst click reaction mechanism for the synthesis of 1,4-disubstituted 1,2,3-triazoles
  In: Molecular Catalysis 566 (2024), Article No.: 114412
  ISSN: 2468-8231
  DOI: 10.1016/j.mcat.2024.114412
• Mathew M., Puchta R., Thomas R.:
  Proton affinity Revisited: Benchmarking computational approaches for accurate predictions
  In: Computational and Theoretical Chemistry 1233 (2024), Article No.: 114477
  ISSN: 2210-271X
  DOI: 10.1016/j.comptc.2024.114477
• Ćoćić D., Yang L., Puchta R., Shi T., van Eldik R.:
  Investigation of the complete encapsulation process of the noble gases by cryptophanes
  In: Journal of Computational Chemistry (2024)
  ISSN: 0192-8651
  DOI: 10.1002/jcc.27519

2023

• Al-Yassiri MA., Puchta R.:
  Predicting a New Δ-Proton Sponge-Base of 4,12-Dihydrogen-4,8,12-triazatriangulene through Proton Affinity, Aromatic Stabilization Energy, and Aromatic Magnetism
  In: ChemPhysChem (2023)
  ISSN: 1439-4235
  DOI: 10.1002/cphc.202200688
• Buchner MR., Cocic D., Ivlev SI., Spang N., Mueller M., Puchta R.:
  Ligand exchange at tetra-coordinated beryllium centres
  In: Dalton Transactions (2023)
  ISSN: 1477-9226
  DOI: 10.1039/d3dt00713h
• Capponi T., Weigel J., Ćoćić D., Alzoubi BM., van Eldik R., Puchta R.:
  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
  In: Journal of Coordination Chemistry (2023)
  ISSN: 0095-8972
  DOI: 10.1080/00958972.2023.2289865
• Polaczek J., Kieca K., Oszajca M., Impert O., Katafias A., Chatterjee D., Ćoćić D., Puchta R., Stochel G., Hubbard CD., van Eldik R.:
  A Personal Account on Inorganic Reaction Mechanisms
  In: Chemical Record (2023)
  ISSN: 1527-8999
  DOI: 10.1002/tcr.202300278
• Squarcina A., Fehn D., Scheitler A., Senft L., Franke A., Zahl A., Puchta R., Meyer K., Ivanovic-Burmazovic I.:
  Mechanistic Insights into Superoxide Dismutation Driven by Dinuclear Manganese Complexes: The Role of the Mn2-Core
  In: ACS Catalysis 13 (2023), p. 8561-8573
  ISSN: 2155-5435
  DOI: 10.1021/acscatal.3c01505

2022

• Alzoubi B., Cocic D., Puchta R., van Eldik R.:
  Mechanistic insight on the water exchange mechanism of [Zn(tren)H2O](2+) and related complexes from a DFT study
  In: Journal of Coordination Chemistry (2022)
  ISSN: 0095-8972
  DOI: 10.1080/00958972.2022.2068415
• Cocic D., Petrovic B., Puchta R., Chrzanowska M., Katafias A., van Eldik R.:
  Investigation of water substitution at Ru-II complexes by conceptual density function theory approach
  In: Journal of Computational Chemistry (2022)
  ISSN: 0192-8651
  DOI: 10.1002/jcc.26878
• Koerner L., Luong Phong Ho ., Puchta R., Stanger A., Tamm M.:
  Dimorpholinoacetylene and Its Use for the Synthesis of Tetraaminocyclobutadiene Species
  In: Chemistry - A European Journal (2022)
  ISSN: 0947-6539
  DOI: 10.1002/chem.202202737
• Puchta R., Dordevic S., Radenkovic S., Jiao H., van Eikema Hommes N.:
  25 years of NICS-much more than nothing!
  In: Journal of the Serbian Chemical Society (2022)
  ISSN: 0352-5139
  DOI: 10.2298/JSC211203057P

2021

• Balovic J., Cocic D., Dordevic S., Radenkovic S., van Eldik R., Puchta R.:
  A theoretical mechanistic study of [K ⊂ [2.2.2]]+ enantiomerization
  In: Journal of Physical Organic Chemistry (2021)
  ISSN: 0894-3230
  DOI: 10.1002/poc.4289
• Bhattacharyya U., Thomas R., Puchta R.:
  The proton sponge 1,8-bis(dimethylamino)naphthalene: The quicker-picker-upper also for s-block metal cations?
  In: Chemical Physics Letters 777 (2021)
  ISSN: 0009-2614
  DOI: 10.1016/j.cplett.2021.138735
• Cocic D., Chrzanowska M., Katafias A., Puchta R., van Eldik R.:
  Tuning the lability of a series of Ru(II) polypyridyl complexes: a comparison of experimental-kinetic and DFT-predicted reaction mechanisms
  In: Journal of Coordination Chemistry (2021)
  ISSN: 0095-8972
  DOI: 10.1080/00958972.2021.1874369
• Jovanovic-Stevic S., Cocic D., Puchta R., Bogojeski J., Jurisevic M., Gajovic N., Jakovljevic S., Arsenijevic N., Jovanovic I., Petrovic B.:
  Assessment of biological activity of the caffeine-derived Pt (II) and Pd (II) complexes
  In: Applied Organometallic Chemistry (2021)
  ISSN: 0268-2605
  DOI: 10.1002/aoc.6532
• Pooventhiran T., Cheriet M., Bhattacharyya U., Irfan A., Puchta R., Sowrirajan S., Thomas R.:
  Detailed Structural Examination, Quantum Mechanical Studies of the Aromatic Compound Solarimfetol and Formation of Inclusion Compound with Cucurbituril
  In: Polycyclic Aromatic Compounds (2021)
  ISSN: 1040-6638
  DOI: 10.1080/10406638.2021.1937238
• Radisavljević S., Scheurer A., Bockfeld D., Ćoćić D., Puchta R., Senft L., Pešić M., Damljanović I., Petrović B.:
  New mononuclear gold(III) complexes: Synthesis, characterization, kinetic, mechanistic, DNA/BSA/HSA binding, DFT and molecular docking studies
  In: Polyhedron 209 (2021), Article No.: 115446
  ISSN: 0277-5387
  DOI: 10.1016/j.poly.2021.115446
• Senft L., Moore JL., Franke A., Fisher KR., Scheitler A., Zahl A., Puchta R., Fehn D., Ison S., Sader S., Ivanovic-Burmazovic I., Goldsmith CR.:
  Quinol-containing ligands enable high superoxide dismutase activity by modulating coordination number, charge, oxidation states and stability of manganese complexes throughout redox cycling
  In: Chemical Science (2021)
  ISSN: 2041-6520
  DOI: 10.1039/d1sc02465e
• Ćoćić D., Manaa A., Siegl S., Puchta R., van Eldik R.:
  [3.2.1] and [4.1.1] isomers of Lehn's [2.2.2] Cryptand: Prediction of ion selectivity by quantum chemical calculations XV**
  In: Zeitschrift für Anorganische und Allgemeine Chemie (2021)
  ISSN: 0044-2313
  DOI: 10.1002/zaac.202000452

2020

• Balović J., Ćoćić D., Puchta R., Scheurer A., van Eldik R.:
  The influence of the bridgehead in Saalfrank-type cryptands: prediction of ion selectivity by quantum chemical calculations XII
  In: Journal of Coordination Chemistry (2020), p. 1-11
  ISSN: 0095-8972
  DOI: 10.1080/00958972.2020.1792455
• Hubbard C., Chatterjee D., Oszajca M., Polaczek J., Impert O., Chrzanowska M., Katafias A., Puchta R., van Eldik R.:
  Inorganic reaction mechanisms. A personal journey
  In: Dalton Transactions 49 (2020), p. 4599-4659
  ISSN: 1477-9226
  DOI: 10.1039/c9dt04620h
• Palmer U., Puchta R.:
  Wirt-Gast-Komplexe von [bfu.bfu.bfu]: Vorhersage von Ionenselektivitäten mittels quantenchemischer Rechnungen XIII
  In: Zeitschrift für Naturforschung Section B-A Journal of Chemical Sciences 75 (2020), p. 769-775
  ISSN: 0932-0776
  DOI: 10.1515/znb-2020-0065
• Petrović A., Živanović M., Puchta R., Ćoćić D., Scheurer A., Milivojevic N., Bogojeski J.:
  Experimental and quantum chemical study оn the DNA/protein binding and the biological activity of a rhodium(iii) complex with 1,2,4-triazole as an inert ligand
  In: Dalton Transactions (2020)
  ISSN: 1477-9226
  DOI: 10.1039/d0dt01343a
• Radisavljevic S., Kesic AD., Cocic D., Puchta R., Senft L., Milutinovic M., Milivojevic N., Petrovic B.:
  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
  In: New Journal of Chemistry 44 (2020), p. 11172-11187
  ISSN: 1144-0546
  DOI: 10.1039/d0nj02037k
• Shoukry MM., Shehata MR., Ragab MS., Ćorćić D., Puchta R., van Eldik R.:
  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)
  In: Reaction Kinetics Mechanisms and Catalysis (2020)
  ISSN: 1878-5190
  DOI: 10.1007/s11144-020-01734-7
• Ćoćić D., Puchta R., van Eldik R.:
  Noble guests in organic cages–encapsulation of noble gases by cryptophane
  In: Journal of Coordination Chemistry (2020)
  ISSN: 0095-8972
  DOI: 10.1080/00958972.2020.1820494
• Ćoćić D., Siegl S., Manaa A., Begel S., Hubbard CD., Puchta R.:
  Host-guest complexes of two isomeric 2,2’-bioxazole based {2}-lehn-type cryptands. Prediction of ion selectivity by quantum chemical calculations. Part XIV
  In: Journal Macroheterocycles 13 (2020), p. 215-222
  ISSN: 1998-9539
  DOI: 10.6060/mhc200603p

2019

• Kostic M., Verdia P., Fernandez-Stefanuto V., Puchta R., Tojo E.:
  A mild and efficient procedure for alkenols oxyselenocyclization by using ionic liquids
  In: Journal of Physical Organic Chemistry 32 (2019), Article No.: e3928
  ISSN: 0894-3230
  DOI: 10.1002/poc.3928
• Petrovic A., Milutinovic MM., Petri ET., Zivanovic M., Milivojevic N., Puchta R., Scheurer A., Korzekwa J., Klisuric OR., Bogojeski J.:
  Synthesis of Camphor-Derived Bis(pyrazolylpyridine) Rhodium(III) Complexes: Structure-Reactivity Relationships and Biological Activity
  In: Inorganic Chemistry 58 (2019), p. 307-319
  ISSN: 0020-1669
  DOI: 10.1021/acs.inorgchem.8b02390
• Petrović B., Jovanović S., Puchta R., van Eldik R.:
  Mechanistic insight on the chemistry of potential Pt antitumor agents as revealed by collaborative research performed in Kragujevac and Erlangen
  In: Inorganica Chimica Acta 495 (2019), Article No.: 118953
  ISSN: 0020-1693
  DOI: 10.1016/j.ica.2019.06.004
• Puchta R., Begel S., van Eldik R.:
  Prediction of ion selectivity by quantum chemical calculations X: A recent (personal) review
  In: Rudi van Eldik, Ralph Puchta (ed.): Computational Chemistry, Academic Press Inc., 2019, p. 445-505 (Advances in Inorganic Chemistry, Vol.73)
  DOI: 10.1016/bs.adioch.2018.10.005
• Puchta R., Walther D., März M., Begel S., van Eldik R.:
  Host-Guest Complexes of Dodeka(ethylene)octamine: Prediction of Ion Selectivity by Quantum Chemical Calculations IX
  In: Zeitschrift für Anorganische und Allgemeine Chemie 645 (2019), p. 701-705
  ISSN: 0044-2313
  DOI: 10.1002/zaac.201800448
• Soldatovic TV., Selimovic E., Smit B., Asanin D., Planojevic NS., Markovic SD., Puchta R., Alzoubi BM.:
  Interactions of zinc(II) complexes with 5′-GMP and their cytotoxic activity
  In: Journal of Coordination Chemistry 72 (2019), p. 690-706
  ISSN: 0095-8972
  DOI: 10.1080/00958972.2019.1569229
• van Eldik R., Puchta R.:
  Computational Chemistry Preface
  In: Advances in Inorganic Chemistry 73 (2019), p. XIII-XV
  ISSN: 0898-8838

2018

• Cocic D., Jovanovic S., Radisavljevic S., Korzekwa J., Scheurer A., Puchta R., Baskic D., Todorovic D., Popovic S., Matic S., Petrovic B.:
  New monofunctional platinum(II) and palladium(II) complexes: Studies of the nucleophilic substitution reactions, DNA/BSA interaction, and cytotoxic activity
  In: Journal of Inorganic Biochemistry 189 (2018), p. 91-102
  ISSN: 0162-0134
  DOI: 10.1016/j.jinorgbio.2018.09.005

2017

• Chrzanowska M., Katafias A., Impert O., Kozakiewicz A., Surdykowski A., Brzozowsk P., Franke A., Zahl A., Puchta R., van Eldik R.:
  Structure and reactivity of [Ru-II(terpy)(NN)Cl]Cl complexes: consequences for biological applications
  In: Dalton Transactions 46 (2017), p. 10264-10280
  ISSN: 1477-9226
  DOI: 10.1039/c7dt01669g
• Dürr M., Klein J., Kahnt A., Becker S., Puchta R., Sarkar B., Ivanovic-Burmazovic I.:
  Redox Behavior of a Dinuclear Ruthenium(II) Complex Bearing an Uncommon Bridging Ligand: Insights from High-Pressure Electrochemistry
  In: Inorganic Chemistry 56 (2017), p. 14912-14925
  ISSN: 0020-1669
  DOI: 10.1021/acs.inorgchem.7b02192
• Kenkel I., Franke A., Dürr M., Zahl A., Dücker-Benfer C., Langer J., Filipovic M., Yu M., Puchta R., Fiedler SR., Shores MP., Goldsmith CR., Ivanovic-Burmazovic I.:
  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
  In: Journal of the American Chemical Society 139 (2017), p. 1472-1484
  ISSN: 0002-7863
  DOI: 10.1021/jacs.6b08394
• Langer J., Grams S., Puchta R.:
  Lithium and Potassium Complexes with dbn- and dbu-Based Enamido Phosphine Ligands: Syntheses and Applications
  In: European Journal of Inorganic Chemistry 2017 (2017), p. 2671-2681
  ISSN: 1434-1948
  DOI: 10.1002/ejic.201700305
• Shyshov O., Brachvogel RC., Bachmann T., Srikantharajah R., Segets D., Hampel F., Puchta R., Von Delius M.:
  Adaptive Behavior of Dynamic Orthoester Cryptands
  In: Angewandte Chemie International Edition 56 (2017), p. 776-781
  ISSN: 1433-7851
  DOI: 10.1002/anie.201609855

2016

• Marina D. Kostić, Vera M. Divac, Basam M. Alzoubi, Ralph Puchta:
  Aplicyanins - Brominated natural marine products with superbasic character
  In: Zeitschrift für Naturforschung - Section B Journal of Chemical Sciences 71 (2016), p. 883-889
  ISSN: 1865-7117
  DOI: 10.1515/znb-2016-0055
• Begel S., Scheurer A., Puchta R., van Eldik R.:
  Host-Guest Complexes of [TriPip222], the Piperazine Analogue of [2.2.2]: Prediction of Ion Selectivity by Quantum Chemical Calculations VIII[#]
  In: Zeitschrift für Anorganische und Allgemeine Chemie 642 (2016), p. 395-402
  ISSN: 0044-2313
  DOI: 10.1002/zaac.201600019
• Dejan Lazić, Aleksandar Arsenijević, Ralph Puchta, Živadin D. Bugarčić, Ana Rilak:
  DNA binding properties, histidine interaction and cytotoxicity studies of water soluble ruthenium(II) terpyridine complexes
  In: Dalton Transactions 45 (2016), p. 4633-4646
  ISSN: 1477-9226
  DOI: 10.1039/c5dt04132e
• Snežana Jovanović, Ralph Puchta, Olivera Klisurić, Živadin D. Bugarčić:
  Crystal structure of K[PtCl3 (caffeine)] and its interactions with important nitrogen-donor ligands
  In: Journal of Coordination Chemistry 69 (2016), p. 735-747
  ISSN: 0095-8972
  DOI: 10.1080/00958972.2016.1146257

2015

• Begel S., Puchta R., Sutter J., Heinemann FW., Dahlenburg L., van Eldik R.:
  Studies on the Reaction of Iron(II) with NO in a Noncoordinating Ionic Liquid
  In: Inorganic Chemistry 54 (2015), p. 6763-6775
  ISSN: 0020-1669
  DOI: 10.1021/acs.inorgchem.5b00595
• Begel S., Scheurer A., Puchta R.:
  Saalfrank-type {Fe2L3} host-guest complexes - Prediction of ion selectivity by quantum chemical calculations VII
  In: Journal of Coordination Chemistry 68 (2015), p. 3374-3387
  ISSN: 0095-8972
  DOI: 10.1080/00958972.2015.1076806
• Ana Rilak, Ralph Puchta, Živadin D. Bugarčić:
  Mechanism of the reactions of ruthenium(II) polypyridyl complexes with thiourea, sulfur-containing amino acids and nitrogen-containing heterocycles
  In: Polyhedron 91 (2015), p. 73-83
  ISSN: 0277-5387
  DOI: 10.1016/j.poly.2015.02.030
• Marina D. Kostić, Vera M. Divac, Ralph Puchta, Zorica M. Bugarčić:
  Kinetic and mechanistic insight into Lewis base and acid-mediated phenylselenoetherification of 2,6-dimethyl-hept-5-en-2-ol
  In: Structural Chemistry 26 (2015), p. 915-922
  ISSN: 1040-0400
  DOI: 10.1007/s11224-015-0570-3
• Shaban SY., El-Kemary MA., Samir G., El-Baradei H., Puchta R.:
  Norfloxacin La(III)-based complex: Synthesis, characterization, and DNA-binding studies
  In: Journal of Coordination Chemistry 68 (2015), p. 3247-3258
  ISSN: 0095-8972
  DOI: 10.1080/00958972.2015.1065320

2014

• Alzoubi B., Weber I., Walther M., van Eikema Hommes N., Puchta R., van Eldik R.:
  HCN exchange on [Cu(HCN)(4)](+): a quantum chemical investigation
  In: Journal of Coordination Chemistry 67 (2014), p. 2185-2194
  ISSN: 0095-8972
  DOI: 10.1080/00958972.2014.941828
• Begel S., Puchta R., van Eldik R.:
  Host-guest complexes of calix[4]tubes - Prediction of ion selectivity by quantum chemical calculations VI
  In: Journal of Molecular Modeling 20 (2014), Article No.: 2200
  ISSN: 0948-5023
  DOI: 10.1007/s00894-014-2200-1
• Mirjana D. Đurović, Ralph Puchta, živadin D. Bugarčić, Rudi Van Eldik:
  Studies on the reactions of [AuCl4]− with different nucleophiles in aqueous solution
  In: Dalton Transactions 43 (2014), p. 8620-8632
  ISSN: 1477-9226
  DOI: 10.1039/c4dt00247d
• Basam M. Alzoubi, Immo Weber, Hans Hanauer, Ralph Puchta, Rudi Van Eldik:
  Quantum chemical investigations of the water exchange mechanism on [Al III(H2O)5(L)]2+ as a function of the donor strength of the anionic L
  In: Journal of Molecular Modeling 20 (2014), Article No.: 2083
  ISSN: 0948-5023
  DOI: 10.1007/s00894-014-2083-1
• Weber I., Mallick B., Schild M., Kareth S., Puchta R., van Eldik R.:
  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
  In: Chemistry - A European Journal 20 (2014), p. 12091-12103
  ISSN: 0947-6539
  DOI: 10.1002/chem.201400165

2013

• Alzoubi B., Walther M., Puchta R., van Eldik R.:
  Mechanistic studies on water-exchange reactions in [Zn(H2O) 4L]2+·2H2O for L = sp2, sp3 oxygen-donor ligands: A DFT approach
  In: European Journal of Inorganic Chemistry (2013), p. 2059-2069
  ISSN: 1434-1948
  DOI: 10.1002/ejic.201200956
• Begel S., Puchta R., van Eldik R.:
  Host-guest complexes of mixed glycol-bipyridine cryptands: Prediction of ion selectivity by quantum chemical calculations, part V
  In: Beilstein Journal of Organic Chemistry 9 (2013), p. 1252-1268
  ISSN: 1860-5397
  DOI: 10.3762/bjoc.9.142
• Pokorny K., Schmeißer M., Hampel F., Zahl A., Puchta R., van Eldik R.:
  Coordination of terpyridine to Li+ in two different ionic liquids
  In: Inorganic Chemistry 52 (2013), p. 13167-13178
  ISSN: 0020-1669
  DOI: 10.1021/ic4020724
• Schmeißer M., Illner P., Puchta R., Zahl A., van Eldik R.:
  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
  In: Chemistry - A European Journal 19 (2013), p. 16835–16836,
  ISSN: 0947-6539
  DOI: 10.1002/chem.201302977
• Mahmoud M.A. Mohamed, Immo Weber, Ralph Puchta, Mohamed M. Shoukry, Rudi Van Eldik:
  Amine-bridged binuclear palladium(II) complexes with inosine. Equilibrium studies and DFT calculations
  In: Journal of Coordination Chemistry 66 (2013), p. 3469-3480
  ISSN: 0095-8972
  DOI: 10.1080/00958972.2013.840367

2012

• Alzoubi B., Walther M., Puchta R., van Eldik R.:
  Apparent or real water exchange reactions on [Zn(H 2O) 4(L)] 2+·2H 2O (L = sp-nitrogen donor ligands)? A quantum chemical investigation
  In: Dalton Transactions 41 (2012), p. 6932-6941
  ISSN: 1477-9226
  DOI: 10.1039/c2dt30158j
• Djeković A., Petrović B., Bugarčić ŽD., Puchta R., van Eldik R.:
  Kinetics and mechanism of the reactions of Au(III) complexes with some biologically relevant molecules
  In: Dalton Transactions 41 (2012), p. 3633-3641
  ISSN: 1477-9226
  DOI: 10.1039/c2dt11843b
• Petrovic B., Bugarcic ZD., Dees A., Ivanovic-Burmazovic I., Heinemann FW., Puchta R., Steinmann SN., Corminboeul C., van Eldik R.:
  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
  In: Inorganic Chemistry 51 (2012), p. 1516-1529
  ISSN: 0020-1669
  DOI: 10.1021/ic201807a
• Puchta R., Alzoubi B., Meier R., Almuhtaseb SI., Walther M., van Eldik R.:
  Quantum chemical studies on the enantiomerization mechanism of several [Zn(py)3(tach)]2+ derivatives
  In: Dalton Transactions 41 (2012), p. 14151-14156
  ISSN: 1477-9226
  DOI: 10.1039/c2dt31722b
• Vera M. Divac, Ralph Puchta, Zorica M. Bugarčić:
  Kinetic and mechanistic studies of base-catalyzed phenylselenoetherification of (Z)- and (E)-Hex-4-en-1-ols
  In: Journal of Physical Chemistry A 116 (2012), p. 7783-7790
  ISSN: 1520-5215
  DOI: 10.1021/jp304314j
• Walther M., Budimir A., Puchta R.:
  Water exchange on beryllium complexes: Part VIII - Influence of neutral electron pair donors
  In: Journal of Coordination Chemistry 65 (2012), p. 4359-4374
  ISSN: 0095-8972
  DOI: 10.1080/00958972.2012.739284
• Walther M., Puchta R.:
  Ligand exchange processes on solvated beryllium cations VII - Water exchange on cationic [Be(H 2O) 3(L n)] 2+n (L n: 4-O-Py -, Py, 4-(Py)-Py +, 3,5-(Py) 2-Py 2+, 3,4,5-(Py) 3-Py 3+)
  In: RSC Advances 2 (2012), p. 5815-5821
  ISSN: 2046-2069
  DOI: 10.1039/c2ra20665j
• Zahl A., van Eldik R., Puchta R., Schmeißer M., Illner P.:
  Gutmann donor and acceptor numbers for ionic liquids
  In: Chemistry - A European Journal 18 (2012), p. 10969-10982
  ISSN: 0947-6539
  DOI: 10.1002/chem.201200584

2011

• Hochreuther S., Puchta R., van Eldik R.:
  Novel dinuclear platinum(II) Complexes containing mixed nitrogen-sulfur donor ligands
  In: Inorganic Chemistry 50 (2011), p. 12747-12761
  ISSN: 0020-1669
  DOI: 10.1021/ic2018902
• Hochreuther S., Puchta R., van Eldik R.:
  Thermodynamic and kinetic studies on novel dinuclear platinum(II) complexes containing bidentate N, N -donor ligands
  In: Inorganic Chemistry 50 (2011), p. 8984-8996
  ISSN: 0020-1669
  DOI: 10.1021/ic201151h
• Puchta R.:
  A brighter beryllium
  In: Nature Chemistry 3 (2011), p. 416-
  ISSN: 1755-4330
  DOI: 10.1038/nchem.1033
• Puchta R., Neumüller B., Dehnicke K.:
  [Be3(μ3-O)3(MeCN)6{Be(MeCN) 3}3](I)6 - A beryllium complex with cyclo-(Be3O3) core and its product of hydrolysis [Be(H2O)4](I)2·2MeCN [Be3(μ3-O)3(MeCN)6{Be(MeCN) 3}3](I)6 - Ein berylliumkomplex mit cyclo-(Be3O3)-kern und sein hydrolyseprodukt [Be(H 2O)4](I)2·2MeCN
  In: Zeitschrift für Anorganische und Allgemeine Chemie 637 (2011), p. 67-74
  ISSN: 0044-2313
  DOI: 10.1002/zaac.201000360
• Rvovic MD., Divac VM., Puchta R., Bugarčić ZM.:
  Mechanistic investigation of the base-promoted cycloselenoetherification of pent-4-en-1-ol
  In: Journal of Molecular Modeling 17 (2011), p. 1251-1257
  ISSN: 0948-5023
  DOI: 10.1007/s00894-010-0824-3
• Schmeißer M., Heinemann FW., Illner P., Puchta R., Zahl A., van Eldik R.:
  Coordination of 1,10-phenanthroline and 2,2′-bipyridine to Li + in different ionic liquids. how innocent are ionic liquids?
  In: Inorganic Chemistry 50 (2011), p. 6685-6695
  ISSN: 0020-1669
  DOI: 10.1021/ic200594e
• Schmeißer M., Heinemann FW., Illner P., Puchta R., Zahl A., van Eldik R.:
  Coordination of 1,10-phenanthroline and 2,2'-bipyridine to Li+ in different ionic liquids. How innocent are ionic liquids?
  In: Inorganic Chemistry 50 (2011), p. 6685-6695
  ISSN: 0020-1669
  DOI: 10.1021/ic200594e
• Walther M., Dücker-Benfer C., Puchta R.:
  Ligand exchange processes on solvated beryllium cations, VI. Hydrogen chalcogenide exchange on [Be(Chelate)Sol2]2+ (Chelate: CH3-O-C2H4-O-CH3, CH 3-S-C2H4-S-CH3, CH 3-Se-C2H4-Se-CH3; Sol: H 2O, H2S, H2Se)
  In: Zeitschrift für Anorganische und Allgemeine Chemie 637 (2011), p. 1736-1740
  ISSN: 0044-2313
  DOI: 10.1002/zaac.201100312
• Ana Budimir, Markus Walther, Ralph Puchta, Rudi Van Eldik:
  Ligand exchange processes on solvated beryllium cations v. Water exchange on [Be(X)(H2O)3]+ (X: H-,F -, Cl-, Br-, OH-, CN-, NCNCN-)
  In: Zeitschrift für Anorganische und Allgemeine Chemie 637 (2011), p. 515-522
  ISSN: 0044-2313
  DOI: 10.1002/zaac.201000418

2010

• Alzoubi B., Puchta R., van Eldik R.:
  Ligand-exchange processes on solvated zinc cations: Water exchange on [Zn(H2O)4(L)]2+·2H2O (L = Heterocyclic Ligand)
  In: Chemistry - A European Journal 16 (2010), p. 7300-7308
  ISSN: 0947-6539
  DOI: 10.1002/chem.200902264
• Alzoubi B., Puchta R., van Eldik R.:
  Ligand exchange processes on the solvated zinc cation II. *[Zn(H2O)4L]2+•2H 2O with L = NH3, NH2(CH3), NH(CH3)2, and N(CH3)3
  In: Australian Journal of Chemistry 63 (2010), p. 236-244
  ISSN: 0004-9425
  DOI: 10.1071/CH09370
• Bogojeski J., Bugarĉić ẐD., Puchta R., van Eldik R.:
  Kinetic studies on the reactions of different bifunctional platinum(II) complexes with selected nucleophiles
  In: European Journal of Inorganic Chemistry (2010), p. 5439-5445
  ISSN: 1434-1948
  DOI: 10.1002/ejic.201000654
• Dürr KL., Olah J., Davydov R., Kleimann M., Li J., Lang N., Puchta R., Hübner E., Drewello T., Harvey JN., Jux N., Ivanovic-Burmazovic I.:
  Studies on an iron(iii)-peroxo porphyrin. Iron(iii)-peroxo or iron(ii)-superoxo?
  In: Dalton Transactions 39 (2010), p. 2049-2056
  ISSN: 1477-9226
  DOI: 10.1039/b920237d
• Puchta R., Scheurer A.:
  To Professor Rolf W. Saalfrank on the Occasion of his 70th birthday
  In: Zeitschrift für Naturforschung 2010, 2010, p. 219 - 220
• Schmeißer M., Zahl A., Scheurer A., Puchta R., van Eldik R.:
  Ligand exchange processes on solvated lithium cations. VI. Determination of coordination numbers by ligand substitution and 7Li NMR
  In: Journal of the American Chemical Society 132 (2010), p. 7282-7284
  ISSN: 0002-7863
• Shaban SAEFY., Puchta R., van Eldik R.:
  Five-coordinate zinc(ii) complexes containing sterically demanding bio-mimetic n3s2 ligands. Syntheses, characterization and dft calculations
  In: Zeitschrift für Naturforschung Section B-A Journal of Chemical Sciences 65 (2010), p. 251-257
  ISSN: 0932-0776
  DOI: 10.1515/znb-2010-0305

2009

• Alzoubi B., Puchta R., van Eldik R.:
  Ligand exchange processes on solvated zinc cations - DFT analysis of hydrogen cyanide exchange on [Zn(HCN)6]2+
  In: Zeitschrift für Anorganische und Allgemeine Chemie 635 (2009), p. 1536-1540
  ISSN: 0044-2313
  DOI: 10.1002/zaac.200900160
• Alzoubi B., Vidali F., Puchta R., Dücker-Benfer C., Felluga A., Randaccio L., Tauzher G., van Eldik R.:
  Mechanistic behaviour of alkylcobaloximes and imino-oxime complexes related to vitamin B12
  In: Dalton Transactions (2009), p. 2392-2399
  ISSN: 1477-9226
  DOI: 10.1039/b816511d
• Banerjee S., Sen S., Chakraborty J., Butcher RJ., García CJ., Puchta R., Mitra S.:
  A butterfly-shaped water tetramer in a Cu4 complex supported by a hydrazone ligand: Synthesis, crystal structure, magnetic properties, and quantum chemical study
  In: Australian Journal of Chemistry 62 (2009), p. 1614-1621
  ISSN: 0004-9425
  DOI: 10.1071/CH09192
• Ertürk H., Puchta R., van Eldik R.:
  Synthesis, characterization, thermodynamic and kinetic properties of a new series of dinuclear PtII complexes
  In: European Journal of Inorganic Chemistry (2009), p. 1331-1338
  ISSN: 1434-1948
  DOI: 10.1002/ejic.200801135
• Illner P., Puchta R., Heinemann FW., van Eldik R.:
  Is bis(trifluoromethylsulfonyl)amide an innocent anion? X-ray structure data and DFT calculations.
  In: Dalton Transactions (2009), p. 2795-2801
  ISSN: 1477-9226
  DOI: 10.1039/b820940e
• Liu G., Dürr KL., Puchta R., Heinemann FW., van Eldik R., Ivanovic-Burmazovic I.:
  Chelate electronic properties control the redox behaviour and superoxide reactivity of seven-coordinate manganese(II) complexes
  In: Dalton Transactions null (2009), p. 6292-6295
  ISSN: 1477-9226
  DOI: 10.1039/b906100m
• Puchta R., Alzoubi B., van Eldik R.:
  Hydrogen cyanide exchange on IAl(HCN)6]3+ - A DFT study
  In: Zeitschrift für Anorganische und Allgemeine Chemie 635 (2009), p. 434-438
  ISSN: 0044-2313
  DOI: 10.1002/zaac.200801246
• Puchta R., Neumüller B., Dehnicke K.:
  (Ph4P)2[Be3(μ-OH)3(H 2O)6]Cl5: Crystal structure and DFT calculations (Ph4P)2[Be3(μ-OH)3(H 2O)6]Cl5: Kristallstruktur und DFT-Rechnungen
  In: Zeitschrift für Anorganische und Allgemeine Chemie 635 (2009), p. 1196-1199
  ISSN: 0044-2313
  DOI: 10.1002/zaac.200801360
• Puchta R., Pasgreta E., van Eldik R.:
  Ligand exchange processes on the smallest solvated alkali and alkaline earth metal cations: An experimental and theoretical approach
  DOI: 10.1016/S0898-8838(09)00209-8
• Wu JI., Pühlhofer FG., Schleyer P., Puchta R., Kiran B., Mauksch M., van Eikema Hommes N., Alkorta I., Elguero J.:
  The Effect of Perfluorination on the Aromaticity of Benzene and Heterocyclic Six-Membered Rings
  In: Journal of Physical Chemistry A 113 (2009), p. 6789-6794
  ISSN: 1520-5215
  DOI: 10.1021/jp902983r

2008

• Dahlenburg L., Menzel R., Puchta R., Heinemann FW.:
  Experimental and computational studies of two new mono- and dinuclear iridium complexes containing a Buchwald biphenyl phosphine ligand
  In: Inorganica Chimica Acta 361 (2008), p. 2623-2630
  ISSN: 0020-1693
  DOI: 10.1016/j.ica.2007.11.006
• Puchta R., Dahlenburg L., Clark T.:
  Why do cationic hydridoiridium(III) complexes with β-aminophosphane ligands favour the transfer hydrogenation of ketones over the direct "H2-hydrogenation"? - A computational approach
  In: Chemistry - A European Journal 14 (2008), p. 8898-8903
  ISSN: 0947-6539
  DOI: 10.1002/chem.200701921
• Puchta R., Roling B., Scheurer A., Weiskopf V., Hampel F., van Eikema Hommes N., Hummel HU.:
  Bicyclic diironcryptates with mobile guest cations: A new class of solid ionic conductors
  In: Solid State Ionics 179 (2008), p. 489-494
  ISSN: 0167-2738
  DOI: 10.1016/j.ssi.2008.02.060
• Saalfrank R., Maid H., Scheurer A., Heinemann FW., Puchta R., Bauer W., Stern D., Stalke D.:
  Template and pH-mediated synthesis of tetrahedral indium complexes [Cs
  In: Angewandte Chemie-International Edition 47 (2008), p. 8941-8945
  ISSN: 1433-7851
  DOI: 10.1002/anie.200804225

2007

• Dees A., Zahl A., Puchta R., van Eikema Hommes N., Heinemann FW., Ivanovic-Burmazovic I.:
  Water exchange on seven-coordinate Mn(II) complexes with macrocyclic pentadentate ligands: Insight in the mechanism of Mn(II) SOD mimetics
  In: Inorganic Chemistry 46 (2007), p. 2459-2470
  ISSN: 0020-1669
  DOI: 10.1021/ic061852o
• Hanauer H., Puchta R., Clark T., van Eldik R.:
  Searching for stable, five-coordinate aquated Al(III) species. Water exchange mechanism and effect of pH
  In: Inorganic Chemistry 46 (2007), p. 1112-1122
  ISSN: 0020-1669
  DOI: 10.1021/ic061284c
• Pasgreta E., Puchta R., Galle M., van Eikema Hommes N., Zahl A., van Eldik R.:
  Ligand-exchange processes on solvated lithium cations: DMSO and water/DMSO mixtures
  In: ChemPhysChem 8 (2007), p. 1315-1320
  ISSN: 1439-4235
  DOI: 10.1002/cphc.200600624
• Pasgreta E., Puchta R., Galle M., van Eikema Hommes N., Zahl A., van Eldik R.:
  Ligand Exchange Processes on Solvated Lithium Cations. II. Complexation by Cryptands in γ-Butyrolactone as Solvent
  In: Journal of Inclusion Phenomena and Macrocyclic Chemistry 58 (2007), p. 81-88
  ISSN: 0923-0750
  DOI: 10.1007/s10847-006-9125-y
• Pasgreta E., Puchta R., Zahl A., van Eldik R.:
  Ligand-exchange processes on solvated lithium cations: Acetonitrile and hydrogen cyanide
  In: European Journal of Inorganic Chemistry null (2007), p. 1815-1822
  ISSN: 1434-1948
  DOI: 10.1002/ejic.200600930
• Pasgreta E., Puchta R., Zahl A., van Eldik R.:
  Ligand exchange processes on solvated lithium cations: Complexation by cryptands in acetone as solvent
  In: European Journal of Inorganic Chemistry (2007), p. 3067-3076
  ISSN: 1434-1948
  DOI: 10.1002/ejic.200601169
• Pasgreta E., Puchta R., Zahl A., van Eldik R.:
  Ligand exchange processes on solvated lithium cations: Complexation by cryptands in acetone as solvent
  In: European Journal of Inorganic Chemistry (2007), p. 3067-3076
  ISSN: 1434-1948
  DOI: 10.1002/ejic.200601169
• Sarauli D., Popova V., Zahl A., Puchta R., Ivanovic-Burmazovic I.:
  Seven-coordinate iron complex as a ditopic receptor for lithium salts: Study of host-guest interactions and substitution behavior
  In: Inorganic Chemistry 46 (2007), p. 7848-7860
  ISSN: 0020-1669
  DOI: 10.1021/ic7005056

2006

• Galle M., Puchta R., van Eikema Hommes N., van Eldik R.:
  Rational design of cation hosts - Prediction of cation selectivity by quantum chemical calculations
  In: Zeitschrift für Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics 220 (2006), p. 511-523
  ISSN: 0942-9352
  DOI: 10.1524/zpch.2006.220.4.511
• Puchta R., Clark T., Bauer W.:
  The formation of endo-complexes between calixarenes and amines - a reinvestigation
  In: Journal of Molecular Modeling 12 (2006), p. 739-747
  ISSN: 1610-2940
  DOI: 10.1007/s00894-005-0079-6
• Puchta R., Galle M., van Eikema Hommes N.:
  Protons on tour - DFT-study of H+-migration in [1.1.1]- and [2.2.2]-cryptands
  In: Zeitschrift für Naturforschung Section B-A Journal of Chemical Sciences 61 (2006), p. 1327-1334
  ISSN: 0932-0776
  DOI: 10.1515/znb-2006-1103
• Puchta R., Meier R., van Eikema Hommes N., van Eldik R.:
  Quantum chemical analysis of the enantiomerisation mechanism of complexes of the type [M-II(XU)(4)]F+ (M = Pt, Pd, Ni; X = S, Se, Te; U = urea)
  In: European Journal of Inorganic Chemistry (2006), p. 4063-4067
  ISSN: 1434-1948
  DOI: 10.1002/ejic.200600483
• Puchta R., van Eikema Hommes N., Meier R., van Eldik R.:
  A new enantiomerization mechanism for tripodal penta-coordinate Zn-II(nta) complexes. Theoretical clarification of the observed H-1 NMR spectrum
  In: Dalton Transactions (2006), p. 3392-3395
  ISSN: 1477-9226
  DOI: 10.1039/b602792j
• Schiessl W., Summa N., Puchta R., van Eikema Hommes N., van Eldik R.:
  Thermodynamic and kinetic studies on reactions of Pt(II) complexes with biologically relevant nucleophiles
  In: Inorganic Chemistry 45 (2006), p. 2948-2959
  ISSN: 0020-1669
  DOI: 10.1021/ic051955r

2005

• Castro C., Chen Z., Wannere C., Jiao H., Karney W., Mauksch M., Puchta R., van Eikema Hommes N., Schleyer P.:
  Investigation of a putative Mobius aromatic hydrocarbon. The effect of benzannelation on Mobius [4n]annulene aromaticity
  In: Journal of the American Chemical Society 127 (2005), p. 2425-2432
  ISSN: 0002-7863
  DOI: 10.1021/ja0458165
• Illner P., Zahl A., Puchta R., van Eikema Hommes N., Wasserscheid P., van Eldik R.:
  Mechanistic studies on the formation of Pt(II) hydroformylation catalysts in imidazolium-based ionic liquids
  In: Journal of Organometallic Chemistry 690 (2005), p. 3567-3576
  ISSN: 0022-328X
  DOI: 10.1016/j.jorganchem.2005.03.029
• Puchta R., van Eikema Hommes N., van Eldik R.:
  Evidence for interchange ligand-exchange processes on solvated beryllium cations
  In: Helvetica Chimica Acta 88 (2005), p. 911-922
  ISSN: 0018-019X
  DOI: 10.1002/hlca.200590085
• Scheurer A., Maid H., Hampel F., Saalfrank R., Toupet L., Mosset P., Puchta R., van Eikema Hommes N.:
  Influence of the conformation of salen complexes on the stereochemistry of the asymmetric epoxidation of olefins
  In: European Journal of Organic Chemistry (2005), p. 2566-2574
  ISSN: 1434-193X
  DOI: 10.1002/ejoc.200500042
• Schiessl W., Summa N., Weber C., Gubo S., Dücker-Benfer C., Puchta R., van Eikema Hommes N., van Eldik R.:
  Experimental and theoretical approaches to the protonation of thiourea: A convenient nucleophile in coordination chemistry revisited
  In: Zeitschrift für Anorganische und Allgemeine Chemie 631 (2005), p. 2812-2819
  ISSN: 0044-2313
  DOI: 10.1002/zaac.200500157
• Weber C., Puchta R., van Eikema Hommes N., Wasserscheid P., van Eldik R.:
  Transition-state effects of ionic liquids in substitution reactions of Pt-II complexes
  In: Angewandte Chemie International Edition 44 (2005), p. 6033-6038
  ISSN: 1433-7851
  DOI: 10.1002/anie.200501329

2004

• Dosche C., Kumke M., Löhmannsröben HG., Ariese F., Bader A., Gooijer C., Miljanic O., Iwamoto M., Vollhardt P., Puchta R., van Eikema Hommes N.:
  Deuteration effects on the vibronic structure of the fluorescence spectra and the internal conversion rates of triangular [4]phenylene
  In: Physical Chemistry Chemical Physics 6 (2004), p. 5476-5483
  ISSN: 1463-9076
  DOI: 10.1039/b414545c
• Puchta R., Galle M., van Eikema Hommes N., Pasgreta E., van Eldik R.:
  Evidence for associative ligand exchange processes on solvated lithium cations
  In: Inorganic Chemistry 43 (2004), p. 8227-8229
  ISSN: 0020-1669
  DOI: 10.1021/ic0487979
• Saalfrank R., Deutscher C., Maid H., Ako AM., Sperner S., Nakajima T., Bauer W., Hampel F., Heß BA., van Eikema Hommes N., Puchta R., Heinemann FW.:
  Synthesis, structure, and dynamics of six-membered metallacoronands and metallodendrimers of iron and indium
  In: Chemistry - A European Journal 10 (2004), p. 1899-1905
  ISSN: 0947-6539
  DOI: 10.1002/chem.200306050
• Scheurer A., Bauer W., Hampel F., Schmidt C., Saalfrank R., Mosset P., Puchta R., van Eikema Hommes N.:
  Desymmetrisation of C-2-symmetric (2S,3S)-diazidobutane-1,4-diol with benzaldehyde
  In: Tetrahedron-Asymmetry 15 (2004), p. 867-872
  ISSN: 0957-4166
  DOI: 10.1016/j.tetasy.2004.01.027

2003

• Dosche C., Kumke M., Ariese F., Bader A., Gooijer C., Dosa P., Han S., Miljanic O., Vollhardt P., Puchta R., van Eikema Hommes N.:
  Shpol'skii spectroscopy and vibrational analysis of [N]phenylenes
  In: Physical Chemistry Chemical Physics 5 (2003), p. 4563-4569
  ISSN: 1463-9076
  DOI: 10.1039/b308036f

2002

• Glaser H., Puchta R., van Eikema Hommes N., Leusser D., Murso A., Stalke D., Bauer W., Saalfrank R.:
  A domino aldol addition/hemiketal formation/hemiketal formation/epimerization route to a heteroadamantane. A crystal-structure, NMR, and computational study
  In: Helvetica Chimica Acta 85 (2002), p. 3828-3841
  ISSN: 0018-019X
  DOI: 10.1002/1522-2675(200211)85:113.0.CO;2-Z

2001

• Schleyer P., Manoharan M., Wang ZX., Kiran B., Jiao H., Puchta R., van Eikema Hommes N.:
  Dissected nucleus-independent chemical shift analysis of pi-aromaticity and antiaromaticity
  In: Organic Letters 3 (2001), p. 2465-2468
  ISSN: 1523-7060
  DOI: 10.1021/ol016217v

2000

• Puchta R., van Eikema Hommes N., Seitz V., Saalfrank R.:
  Exploring {2}-metallacryptands and {2}-metallacryptates with quantum chemical methods - When (not only) computer chemists' dreams come true
  In: Journal of Molecular Modeling 6 (2000), p. 126-132
  ISSN: 0948-5023
  DOI: 10.1007/s0089400060126