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Schlagwort
- dft 56 Treffer
- density functional theory 49 Treffer
- electric potential 48 Treffer
- crystal structure 40 Treffer
- molecular docking 29 Treffer
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45 weitere Werte:
- molecular structure 29 Treffer
- mep 26 Treffer
- natural orbitals 26 Treffer
- intermolecular interactions 22 Treffer
- frontier orbitals 19 Treffer
- nbo 19 Treffer
- atoms in molecules theory 18 Treffer
- charge transfer 15 Treffer
- hirshfeld surface analysis 14 Treffer
- hydrogen bonding interactions 14 Treffer
- vibrational spectra 14 Treffer
- surface analysis 13 Treffer
- x-ray diffraction 13 Treffer
- electrostatics 12 Treffer
- hydrogen bond 12 Treffer
- single crystals 12 Treffer
- density functionals 11 Treffer
- dft calculations 11 Treffer
- fourier transform infrared spectroscopy 11 Treffer
- x-ray crystallography 9 Treffer
- aim 8 Treffer
- chemical shift (nuclear magnetic resonance) 8 Treffer
- homo-lumo 8 Treffer
- molecular dynamics 8 Treffer
- molecular electrostatic potential 8 Treffer
- electronic structure 7 Treffer
- intramolecular hydrogen bond 7 Treffer
- molecular orbitals 7 Treffer
- quantum chemistry 7 Treffer
- anions 6 Treffer
- benzoic acid 6 Treffer
- coordination compounds 6 Treffer
- dihedral angles 6 Treffer
- dimers 6 Treffer
- docking 6 Treffer
- halogens 6 Treffer
- nmr 6 Treffer
- noncovalent interactions 6 Treffer
- quantum theory 6 Treffer
- rdg 6 Treffer
- schiff bases 6 Treffer
- space groups 6 Treffer
- acetic acid 5 Treffer
- antineoplastic agents 5 Treffer
- binding energy 5 Treffer
Verlag
- elsevier b.v. 114 Treffer
- springer nature 27 Treffer
- royal society of chemistry 17 Treffer
- taylor & francis ltd 14 Treffer
- wiley-blackwell 10 Treffer
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12 weitere Werte:
- mdpi 7 Treffer
- international union of crystallography - iucr 5 Treffer
- american chemical society 4 Treffer
- american institute of physics 2 Treffer
- john wiley & sons, inc. 2 Treffer
- academic press inc. 1 Treffer
- de gruyter 1 Treffer
- knowledge bylanes 1 Treffer
- rasayan journal of chemistry 1 Treffer
- sakarya university 1 Treffer
- sciendo 1 Treffer
- world scientific publishing company 1 Treffer
Publikation
- journal of molecular structure 63 Treffer
- spectrochimica acta part a: molecular & biomolecular spectroscopy 13 Treffer
- journal of molecular liquids 10 Treffer
- structural chemistry 9 Treffer
- crystengcomm 8 Treffer
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45 weitere Werte:
- new journal of chemistry 8 Treffer
- inorganica chimica acta 7 Treffer
- journal of molecular modeling 7 Treffer
- molecular physics 6 Treffer
- acta crystallographica section e: crystallographic communications 5 Treffer
- chemical physics letters 5 Treffer
- journal of chemical sciences 4 Treffer
- molecules 4 Treffer
- acta crystallographica section c: structural chemistry 3 Treffer
- inorganic chemistry communications 3 Treffer
- international journal of molecular sciences 3 Treffer
- journal of luminescence 3 Treffer
- journal of molecular graphics & modelling 3 Treffer
- journal of the chinese chemical society 3 Treffer
- molecular crystals & liquid crystals 3 Treffer
- chemical physics 2 Treffer
- chemistry - a european journal 2 Treffer
- journal of chemical physics 2 Treffer
- journal of chromatography a 2 Treffer
- journal of physical chemistry a 2 Treffer
- polycyclic aromatic compounds 2 Treffer
- supramolecular chemistry 2 Treffer
- american mineralogist 1 Treffer
- applied physics a: materials science & processing 1 Treffer
- biochemistry 1 Treffer
- biologia 1 Treffer
- bulletin of the korean chemical society 1 Treffer
- chemistryselect 1 Treffer
- dalton transactions: an international journal of inorganic chemistry 1 Treffer
- green chemistry letters & reviews 1 Treffer
- international journal of quantum chemistry 1 Treffer
- journal of biotechnology 1 Treffer
- journal of chemical crystallography 1 Treffer
- journal of computer-aided molecular design 1 Treffer
- journal of physical organic chemistry 1 Treffer
- journal of solid state chemistry 1 Treffer
- journal of the american chemical society 1 Treffer
- journal of the chemical society of pakistan 1 Treffer
- journal of theoretical & computational chemistry 1 Treffer
- materials science-poland 1 Treffer
- optical & quantum electronics 1 Treffer
- polyhedron 1 Treffer
- rasayan journal of chemistry 1 Treffer
- renewable & sustainable energy reviews 1 Treffer
- research on chemical intermediates 1 Treffer
Sprache
209 Treffer
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In: Biologia, Jg. 78 (2023-12-01), Heft 12, S. 3691-3711Online academicJournalZugriff:
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In: Journal of Molecular Structure, Jg. 1164 (2018-07-15), S. 486-492academicJournalZugriff:
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In: Journal of Molecular Liquids, Jg. 377 (2023-05-01), S. N.PAGacademicJournalZugriff:
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In: Acta Crystallographica Section E: Crystallographic Communications, Jg. 76 (2020-02-01), Heft 2, S. 141-148Online academicJournalZugriff:
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In: Acta Crystallographica Section E: Crystallographic Communications, Jg. 75 (2019-07-01), Heft 7, S. 1030-1044Online academicJournalZugriff:
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In: Acta Crystallographica Section E: Crystallographic Communications, Jg. 75 (2019-07-01), Heft 7, S. 987-997Online academicJournalZugriff:
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In: Journal of Molecular Structure, Jg. 1101 (2015-12-05), S. 189-211academicJournalZugriff:
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In: Journal of Molecular Structure, Jg. 1243 (2021-11-05), S. N.PAGacademicJournalZugriff:
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In: CrystEngComm, Jg. 11 (2009-02-01), Heft 2, S. 306-317Online academicJournalZugriff:
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In: Journal of Molecular Structure, Jg. 1228 (2021-03-15), S. N.PAGacademicJournalZugriff:
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In: Journal of Molecular Modeling, Jg. 27 (2021-06-01), Heft 6, S. 1-6Online academicJournalZugriff:
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In: Journal of Molecular Modeling, Jg. 29 (2023-02-01), Heft 2, S. 1-11Online academicJournalZugriff:
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In: Structural Chemistry, Jg. 33 (2022-10-01), Heft 5, S. 1543-1551Online academicJournalZugriff:
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In: Journal of Molecular Modeling, Jg. 30 (2024), Heft 1, S. 1-16Online academicJournalZugriff:
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In: Structural Chemistry, Jg. 29 (2018-02-01), Heft 1, S. 341-357Online academicJournalZugriff:
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In: Molecular Crystals & Liquid Crystals, Jg. 768 (2024-03-01), Heft 4, S. 110-129academicJournalZugriff:
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In: Optical & Quantum Electronics, Jg. 56 (2024-03-01), Heft 3, S. 1-26Online academicJournalZugriff:
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In: Journal of Chemical Crystallography, Jg. 52 (2022-03-01), Heft 1, S. 1-16Online academicJournalZugriff:
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In: American Mineralogist, Jg. 108 (2023-05-01), Heft 5, S. 959-967academicJournalZugriff:
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In: Acta Crystallographica Section C: Structural Chemistry, Jg. 79 (2023-05-01), Heft 5, S. 193-203Online academicJournalZugriff: