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1. Computational spectroscopy
: methods, experiments and applications
by Grunenberg, Jörg
2010, ISBN 9783527326495, xv, 416
Data processing | Molecular spectroscopy | Spectrum analysis
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2. Full Text Corrigendum to: The Interstitial Carbon of the Nitrogenase FeMo Cofactor is Far Better Stabilized than Previously Assumed (Angew. Chem. Int. Ed. (2017), 56, (7288–7291), 10.1002/anie.201701790)
by Grunenberg, Jörg
Angewandte Chemie (International ed.), ISSN 1433-7851, 2017, Volume 56, Issue 32, p. 9265
Journal Article
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3. Full Text Ill-defined chemical concepts: The problem of quantification
: GRUNENBERG
by Grunenberg, Jörg
International journal of quantum chemistry, ISSN 0020-7608, 05/2017, Volume 117, Issue 9, p. e25359
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4. Full Text III-defined concepts in chemistry: rigid force constants vs. compliance constants as bond strength descriptors for the triple bond in diboryne
by Grunenberg, Jörg
Chemical science (Cambridge), ISSN 2041-6520, 6/2015, Volume 6, Issue 7, pp. 486 - 488
Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology
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5. Full Text Kinetic Studies of Donor–Acceptor Cyclopropanes: The Influence of Structural and Electronic Properties on the Reactivity
by Kreft, Alexander and Lücht, Alexander and Grunenberg, Jörg and Jones, Peter G and Werz, Daniel B
Angewandte Chemie (International ed.), ISSN 1433-7851, 02/2019, Volume 58, Issue 7, pp. 1955 - 1959
catalysis | cyclopropanes | cycloaddition | reactivity studies | donor–acceptor compounds | Magnetic resonance spectroscopy | Cycloaddition | Rate constants | Cyclopropane | Reaction kinetics | X-ray diffraction | Kinetics | NMR spectroscopy | Electron density | Organic compounds
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6. Full Text Corrigendum: The Interstitial Carbon of the Nitrogenase FeMo Cofactor is Far Better Stabilized than Previously Assumed
by Grunenberg, Jörg
Angewandte Chemie (International ed.), ISSN 1433-7851, 08/2017, Volume 56, Issue 32, pp. 9265 - 9265
Ferroalloys | Nitrogenase
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7. Full Text Ill‐defined chemical concepts: The problem of quantification
by Grunenberg, Jörg
International journal of quantum chemistry, ISSN 0020-7608, 05/2017, Volume 117, Issue 9, p. n/a
bonding theory | computational chemistry | chemical concepts | bond order | Mathematics, Interdisciplinary Applications | Quantum Science & Technology | Physical Sciences | Chemistry | Mathematics | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Aromaticity | Boron
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8. Full Text The Interstitial Carbon of the Nitrogenase FeMo Cofactor is Far Better Stabilized than Previously Assumed
by Grunenberg, Jörg
Angewandte Chemie (International ed.), ISSN 1433-7851, 06/2017, Volume 56, Issue 25, pp. 7288 - 7291
compliance constants | relaxed force constants | density functional theory | FeMo cofactor | nitrogenase | Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Sulfur compounds | Enzymes | Algorithms | Iron compounds | Fixation | Ferroalloys | Density functionals | Chemical properties | Nitrogen | Vanadium | Constants | Iron | Modulus of elasticity | Molybdenum | Carbon | Covalence | Mathematical analysis | Nitrogenase | Nitrogen fixation | Clusters | Chemical bonds | Catalysis | Sulfur | Index Medicus
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9. Full Text Effective in silico prediction of new oxazolidinone antibiotics: Force field simulations of the antibiotic-ribosome complex supervised by experiment and electronic structure methods
by Grunenberg, Jörg and Licari, Giuseppe
Beilstein journal of organic chemistry, ISSN 1860-5397, 03/2016, Volume 12, Issue 1, pp. 415 - 428
Molecular recognition | Relaxed force constants | Computational chemistry | Compliance constants | Drug design | Physical Sciences | Chemistry | Chemistry, Organic | Science & Technology | drug design | Full Research Paper | compliance constants | molecular recognition | computational chemistry | relaxed force constants
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10. Full Text Quantum chemistry: Quadruply bonded carbon
by Grunenberg, Jörg
Nature chemistry, ISSN 1755-4330, 03/2012, Volume 4, Issue 3, pp. 154 - 155
Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology
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11. Full Text Structural Elucidation of Trace Components Combining GC/MS, GC/IR, DFT‐Calculation and Synthesis—Salinilactones, Unprecedented Bicyclic Lactones from Salinispora Bacteria
by Schlawis, Christian and Kern, Simone and Kudo, Yuta and Grunenberg, Jörg and Moore, Bradley S and Schulz, Stefan
Angewandte Chemie (International ed.), ISSN 1433-7851, 11/2018, Volume 57, Issue 45, pp. 14921 - 14925
bicyclic lactones | A-factor | autoinducer | GC/IR | structure elucidation | Bacteria | Mass spectrometry | Analysis | Analytical methods | Spectroscopy | Infrared spectroscopy | Identification methods | Volatiles | Lactones | Synthesis | Mathematical analysis | Spectrum analysis | Absolute configuration | Computer applications | Volatile compounds
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12. Full Text Quadruply bonded carbon
by Grunenberg, Jörg
Nature chemistry, ISSN 1755-4330, 02/2012, Volume 4, Issue 3, pp. 154 - 155
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13. Full Text Der interstitiell gebundene Kohlenstoff der Nitrogenase ist deutlich stabiler als bisher angenommen
by Grunenberg, Jörg
Angewandte Chemie, ISSN 0044-8249, 06/2017, Volume 129, Issue 25, pp. 7394 - 7397
Relaxierte Kraftkonstanten | Nitrogenase | FeMo-Cofactor | Compliance-Konstanten | Dichtefunktionalrechnungen
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14. Full Text Der interstitiell gebundene Kohlenstoff der Nitrogenase ist deutlich stabiler als bisher angenommen
by Jörg Grunenberg
Angewandte Chemie, ISSN 0044-8249, 06/2017, Volume 129, Issue 25, pp. 7394 - 7397
Nitrogenase | Vanadium | Clusters
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15. Full Text Efficient computation of compliance matrices in redundant internal coordinates from Cartesian Hessians for nonstationary points
by Brandhorst, Kai and Grunenberg, Jörg
The Journal of chemical physics, ISSN 0021-9606, 05/2010, Volume 132, Issue 18, pp. 184101 - 184101-7
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology
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16. Full Text K–H3C and K–Sn Interactions in Potassium Trimethylstannyl Complexes: A Structural, Mechanochemical, and NMR Study
by Kleeberg, Christian and Grunenberg, Jörg and Xie, Xiulan
Inorganic chemistry, ISSN 0020-1669, 05/2014, Volume 53, Issue 9, pp. 4400 - 4410
Physical Sciences | Chemistry, Inorganic & Nuclear | Chemistry | Science & Technology
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17. Full Text Complexity in molecular recognition
: Nano-bio: The interface between bio-systems and nano-devices
by GRUNENBERG, Jörg
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 2011, Volume 13, Issue 21, pp. 10136 - 10146
Chemistry | Exact sciences and technology | General and physical chemistry
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