| Year |
Citation |
Score |
| 2022 |
Mendelsohn LN, Pavlovic L, Zhong H, Friedfeld MR, Shevlin M, Hopmann KH, Chirik PJ. Mechanistic Investigations of the Asymmetric Hydrogenation of Enamides with Neutral Bis(phosphine) Cobalt Precatalysts. Journal of the American Chemical Society. PMID 35951601 DOI: 10.1021/jacs.2c06454 |
0.352 |
|
| 2022 |
Sahari A, Do CD, Mannisto JK, Antico E, Amaratunga A, Hopmann KH, Repo T. Titanium isopropoxide-mediated -selective synthesis of 3,4-substituted butyrolactones from CO. Chemical Communications (Cambridge, England). 58: 3027-3030. PMID 35156667 DOI: 10.1039/d2cc00446a |
0.351 |
|
| 2020 |
Somerville RJ, Odena C, Obst MF, Hazari N, Hopmann KH, Martin R. Ni(I)-Alkyl Complexes Bearing Phenanthroline Ligands: Experimental Evidence for CO Insertion at Ni(I) Centers. Journal of the American Chemical Society. PMID 32520556 DOI: 10.1021/Jacs.0C04695 |
0.399 |
|
| 2020 |
Gevorgyan A, Hopmann KH, Bayer A. Formal C-H Carboxylation of Unactivated Arenes. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32003869 DOI: 10.1002/Chem.202000515 |
0.669 |
|
| 2020 |
Gevorgyan A, Hopmann KH, Bayer A. Exploration of New Biomass-Derived Solvents: Application to Carboxylation Reactions. Chemsuschem. PMID 31909560 DOI: 10.1002/Cssc.201903224 |
0.715 |
|
| 2020 |
Obst MF, Gevorgyan A, Bayer A, Hopmann KH. Mechanistic Insights into Copper-Catalyzed Carboxylations Organometallics. 39: 1545-1552. DOI: 10.1021/Acs.Organomet.9B00710 |
0.669 |
|
| 2020 |
García-López D, Pavlovic L, Hopmann KH. To Bind or Not to Bind: Mechanistic Insights into C–CO2 Bond Formation with Late Transition Metals Organometallics. 39: 1339-1347. DOI: 10.1021/Acs.Organomet.0C00090 |
0.347 |
|
| 2019 |
Gevorgyan A, Obst MF, Guttormsen Y, Maseras F, Hopmann KH, Bayer A. Caesium fluoride-mediated hydrocarboxylation of alkenes and allenes: scope and mechanistic insights. Chemical Science. 10: 10072-10078. PMID 32055361 DOI: 10.1039/C9Sc02467K |
0.717 |
|
| 2019 |
Vaitla J, Bayer A, Hopmann KH. Vinyl Sulfoxonium Ylide: A New Vinyl Carbenoid Transfer Reagent for the Synthesis of Heterocycles Synlett. 30: 1377-1383. DOI: 10.1055/S-0037-1611771 |
0.779 |
|
| 2018 |
Vaitla J, Bayer A, Hopmann KH. Iron-Catalyzed Carbenoid-Transfer Reactions of Vinyl Sulfoxonium Ylides: An Experimental and Computational Study. Angewandte Chemie (International Ed. in English). PMID 30318836 DOI: 10.1002/Anie.201810451 |
0.778 |
|
| 2018 |
Morello GR, Zhong H, Chirik PJ, Hopmann KH. Cobalt-catalysed alkene hydrogenation: a metallacycle can explain the hydroxyl activating effect and the diastereoselectivity. Chemical Science. 9: 4977-4982. PMID 29938025 DOI: 10.1039/C8Sc01315B |
0.397 |
|
| 2018 |
Pavlovic L, Vaitla J, Bayer A, Hopmann KH. Rhodium-Catalyzed Hydrocarboxylation: Mechanistic Analysis Reveals Unusual Transition State for Carbon–Carbon Bond Formation Organometallics. 37: 941-948. DOI: 10.1021/Acs.Organomet.7B00899 |
0.768 |
|
| 2018 |
Obst M, Pavlovic L, Hopmann KH. Carbon-carbon bonds with CO2: Insights from computational studies Journal of Organometallic Chemistry. 864: 115-127. DOI: 10.1016/J.Jorganchem.2018.02.020 |
0.415 |
|
| 2017 |
Vaitla J, Hopmann KH, Bayer A. Rhodium-Catalyzed Synthesis of Sulfur Ylides via in Situ Generated Iodonium Ylides. Organic Letters. PMID 29166023 DOI: 10.1021/Acs.Orglett.7B03413 |
0.776 |
|
| 2017 |
Vaitla J, Bayer A, Hopmann KH. Synthesis of Indoles and Pyrroles Utilizing Iridium Carbenes Generated from Sulfoxonium Ylides. Angewandte Chemie (International Ed. in English). PMID 28319303 DOI: 10.1002/Anie.201610520 |
0.774 |
|
| 2017 |
Vaitla J, Guttormsen Y, Mannisto JK, Nova A, Repo T, Bayer A, Hopmann KH. Enantioselective Incorporation of CO2: Status and Potential Acs Catalysis. 7: 7231-7244. DOI: 10.1021/Acscatal.7B02306 |
0.757 |
|
| 2017 |
Morello GR, Hopmann KH. A Dihydride Mechanism Can Explain the Intriguing Substrate Selectivity of Iron-PNP-Mediated Hydrogenation Acs Catalysis. 7: 5847-5855. DOI: 10.1021/Acscatal.7B00764 |
0.388 |
|
| 2016 |
Isaksen GV, Hopmann KH, Åqvist J, Brandsdal BO. Computer Simulations Reveal Substrate Specificity of Glycosidic Bond Cleavage in Native and Mutant Human Purine Nucleoside Phosphorylase. Biochemistry. 55: 2153-62. PMID 26985580 DOI: 10.1021/Acs.Biochem.5B01347 |
0.373 |
|
| 2016 |
Hopmann KH. How Accurate is DFT for Iridium-Mediated Chemistry? Organometallics. 35: 3795-3807. DOI: 10.1021/Acs.Organomet.6B00377 |
0.401 |
|
| 2016 |
Kuhn A, Tischlik S, Hopmann KH, Landman M, van Rooyen PH, Conradie J. Structure, substitution and hydrolysis of Bis(trifluorobenzoylacetonato-O,O′)dichloro titanium(IV): An experimental and computational study Inorganica Chimica Acta. 453: 345-356. DOI: 10.1016/J.Ica.2016.08.034 |
0.468 |
|
| 2015 |
Hopmann KH, Conradie J, Tangen E, Tonzetich ZJ, Lippard SJ, Ghosh A. Singlet-Triplet Gaps of Cobalt Nitrosyls: Insights from Tropocoronand Complexes. Inorganic Chemistry. 54: 7362-7. PMID 26203786 DOI: 10.1021/Acs.Inorgchem.5B00901 |
0.747 |
|
| 2015 |
Hopmann KH. Iron/Brønsted Acid Catalyzed Asymmetric Hydrogenation: Mechanism and Selectivity-Determining Interactions. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 10020-30. PMID 26039958 DOI: 10.1002/Chem.201500602 |
0.392 |
|
| 2015 |
Hopmann KH, Bayer A. ChemInform Abstract: Enantioselective Imine Hydrogenation with Iridium-Catalysts: Reactions, Mechanisms and Stereocontrol Cheminform. 46: no-no. DOI: 10.1002/CHIN.201524266 |
0.666 |
|
| 2015 |
Hopmann KH. Frontispiece: Iron/Brønsted Acid Catalyzed Asymmetric Hydrogenation: Mechanism and Selectivity-Determining Interactions Chemistry - a European Journal. 21: n/a-n/a. DOI: 10.1002/Chem.201582862 |
0.335 |
|
| 2014 |
Hopmann KH. Full reaction mechanism of nitrile hydratase: a cyclic intermediate and an unexpected disulfide switch. Inorganic Chemistry. 53: 2760-2. PMID 24597943 DOI: 10.1021/Ic500091K |
0.418 |
|
| 2014 |
Hopmann KH, Frediani L, Bayer A. Iridium-PHOX-mediated alkene hydrogenation: Isomerization influences the stereochemical outcome Organometallics. 33: 2790-2797. DOI: 10.1021/Om5002843 |
0.67 |
|
| 2014 |
Hopmann KH, Kuhn A, Conradie J. Substitution reactions of dichlorobis(betadiketonato-O,O′)titanium(IV) complexes with aryl diolato ligands: An experimental and computational study Polyhedron. 67: 231-241. DOI: 10.1016/J.Poly.2013.09.004 |
0.59 |
|
| 2014 |
Hopmann KH, Bayer A. Enantioselective imine hydrogenation with iridium-catalysts: Reactions, mechanisms and stereocontrol Coordination Chemistry Reviews. 268: 59-82. DOI: 10.1016/J.Ccr.2014.01.023 |
0.706 |
|
| 2013 |
Li X, Hopmann KH, Hudecová J, Isaksson J, Novotná J, Stensen W, Andrushchenko V, Urbanová M, Svendsen JS, Bouř P, Ruud K. Determination of absolute configuration and conformation of a cyclic dipeptide by NMR and chiral spectroscopic methods. The Journal of Physical Chemistry. A. 117: 1721-36. PMID 23347158 DOI: 10.1021/Jp311151H |
0.305 |
|
| 2013 |
Hopmann KH. Cobalt–Bis(imino)pyridine-Catalyzed Asymmetric Hydrogenation: Electronic Structure, Mechanism, and Stereoselectivity Organometallics. 32: 6388-6399. DOI: 10.1021/Om400755K |
0.398 |
|
| 2012 |
Li X, Hopmann KH, Hudecová J, Stensen W, Novotná J, Urbanová M, Svendsen JS, Bouř P, Ruud K. Absolute configuration of a cyclic dipeptide reflected in vibrational optical activity: ab initio and experimental investigation. The Journal of Physical Chemistry. A. 116: 2554-63. PMID 22335561 DOI: 10.1021/Jp211454V |
0.302 |
|
| 2012 |
Hopmann KH, Šebestík J, Novotná J, Stensen W, Urbanová M, Svenson J, Svendsen JS, Bouř P, Ruud K. Determining the absolute configuration of two marine compounds using vibrational chiroptical spectroscopy. The Journal of Organic Chemistry. 77: 858-69. PMID 22148737 DOI: 10.1021/Jo201598X |
0.3 |
|
| 2011 |
Sandala GM, Hopmann KH, Ghosh A, Noodleman L. Calibration of DFT Functionals for the Prediction of Fe Mössbauer Spectral Parameters in Iron-Nitrosyl and Iron-Sulfur Complexes: Accurate Geometries Prove Essential. Journal of Chemical Theory and Computation. 7: 3232-3247. PMID 22039359 DOI: 10.1021/Ct200187D |
0.517 |
|
| 2011 |
Hopmann KH, Cardey B, Gladwin MT, Kim-Shapiro DB, Ghosh A. Hemoglobin as a nitrite anhydrase: modeling methemoglobin-mediated N2O3 formation. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 6348-58. PMID 21590821 DOI: 10.1002/Chem.201003578 |
0.775 |
|
| 2011 |
Hopmann KH, Bayer A. On the Mechanism of Iridium-Catalyzed Asymmetric Hydrogenation of Imines and Alkenes: A Theoretical Study Organometallics. 30: 2483-2497. DOI: 10.1021/Om1009507 |
0.69 |
|
| 2011 |
Hopmann KH, Ghosh A, Noodleman L. Correction to Density Functional Theory Calculations on Mössbauer Parameters of Nonheme Iron Nitrosyls Inorganic Chemistry. 50: 4221-4221. DOI: 10.1021/Ic200575Z |
0.487 |
|
| 2011 |
Hopmann KH, Ghosh A. Mechanism of Cobalt-Porphyrin–Catalyzed Aziridination Acs Catalysis. 1: 597-600. DOI: 10.1021/Cs1001114 |
0.564 |
|
| 2011 |
Hopmann KH, Cardey B, Gladwin MT, Kim‐Shapiro DB, Ghosh A. Cover Picture: Hemoglobin as a Nitrite Anhydrase: Modeling Methemoglobin
‐
Mediated N
2
O
3
Formation (Chem. Eur. J. 23/2011) Chemistry – a European Journal. 17: 6277-6277. DOI: 10.1002/Chem.201190114 |
0.742 |
|
| 2010 |
Hopmann KH, Noodleman L, Ghosh A. Spin coupling in Roussin's red and black salts. Chemistry (Weinheim An Der Bergstrasse, Germany). 16: 10397-408. PMID 20623807 DOI: 10.1002/Chem.200903344 |
0.509 |
|
| 2010 |
Conradie J, Hopmann KH, Ghosh A. Understanding the unusually straight: a search for MO insights into linear {FeNO}(7) units. The Journal of Physical Chemistry. B. 114: 8517-24. PMID 20536203 DOI: 10.1021/Jp101847Y |
0.636 |
|
| 2010 |
Hopmann KH, Stuurman NF, Muller A, Conradie J. Substitution and Isomerization of Asymmetric β-Diketonato Rhodium(I) Complexes: A Crystallographic and Computational Study Organometallics. 29: 2446-2458. DOI: 10.1021/Om1000138 |
0.569 |
|
| 2009 |
Hopmann KH, Ghosh A, Noodleman L. Density functional theory calculations on Mössbauer parameters of nonheme iron nitrosyls. Inorganic Chemistry. 48: 9155-65. PMID 19780615 DOI: 10.1021/Ic9008784 |
0.527 |
|
| 2009 |
Hopmann KH, Conradie J, Ghosh A. Broken-symmetry DFT spin densities of iron nitrosyls, including Roussin's red and black salts: striking differences between pure and hybrid functionals. The Journal of Physical Chemistry. B. 113: 10540-7. PMID 19719290 DOI: 10.1021/Jp904135H |
0.618 |
|
| 2009 |
Hopmann KH, Conradie J. Density Functional Theory Study of Substitution at the Square-Planar Acetylacetonato-dicarbonyl-rhodium(I) Complex Organometallics. 28: 3710-3715. DOI: 10.1021/Om900133S |
0.535 |
|
| 2008 |
Hopmann KH, Himo F. Quantum Chemical Modeling of the Dehalogenation Reaction of Haloalcohol Dehalogenase. Journal of Chemical Theory and Computation. 4: 1129-37. PMID 26636366 DOI: 10.1021/Ct8000443 |
0.413 |
|
| 2008 |
Hopmann KH, Himo F. Cyanolysis and azidolysis of epoxides by haloalcohol dehalogenase: theoretical study of the reaction mechanism and origins of regioselectivity. Biochemistry. 47: 4973-82. PMID 18393443 DOI: 10.1021/Bi800001R |
0.438 |
|
| 2008 |
Hopmann KH, Himo F. On the Role of Tyrosine as Catalytic Base in Nitrile Hydratase European Journal of Inorganic Chemistry. 2008: 3452-3459. DOI: 10.1002/Ejic.200800250 |
0.433 |
|
| 2007 |
Hopmann KH, Guo JD, Himo F. Theoretical investigation of the first-shell mechanism of nitrile hydratase. Inorganic Chemistry. 46: 4850-6. PMID 17497847 DOI: 10.1021/Ic061894C |
0.43 |
|
| 2006 |
Hopmann KH, Himo F. Insights into the reaction mechanism of soluble epoxide hydrolase from theoretical active site mutants. The Journal of Physical Chemistry. B. 110: 21299-310. PMID 17048959 DOI: 10.1021/Jp063830T |
0.372 |
|
| 2006 |
Hopmann KH, Himo F. Theoretical study of the full reaction mechanism of human soluble epoxide hydrolase. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 6898-909. PMID 16856182 DOI: 10.1002/Chem.200501519 |
0.411 |
|
| 2005 |
Hopmann KH, Hallberg BM, Himo F. Catalytic mechanism of limonene epoxide hydrolase, a theoretical study. Journal of the American Chemical Society. 127: 14339-47. PMID 16218628 DOI: 10.1021/Ja050940P |
0.378 |
|
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