-
1
المؤلفون: Tamara Husch, Thomas F. Miller, Feizhi Ding, Sebastian J. R. Lee
مصطلحات موضوعية: Chemical Physics (physics.chem-ph), Physics, 010304 chemical physics, Artificial neural network, business.industry, FOS: Physical sciences, General Physics and Astronomy, 010402 general chemistry, Machine learning, computer.software_genre, 01 natural sciences, Regression, 0104 chemical sciences, Feature design, Brillouin zone, Orthogonality, Kriging, Physics - Chemical Physics, 0103 physical sciences, Molecular orbital, Density functional theory, Artificial intelligence, Physical and Theoretical Chemistry, business, computer
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::17de0311d7e701ed8db2f6039ff0d653
https://resolver.caltech.edu/CaltechAUTHORS:20210119-161656738 -
2
المؤلفون: Cornelius Gropp, Tamara Husch, Nils Trapp, Markus Reiher, François Diederich
المصدر: Angewandte Chemie. 130:16534-16539
مصطلحات موضوعية: Materials science, 010405 organic chemistry, General Medicine, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences
-
3
المؤلفون: Sebastian J. R. Lee, Tamara Husch, Lixue Cheng, Thomas F. Miller, Jiace Sun
مصطلحات موضوعية: Active learning (machine learning), Extrapolation, General Physics and Astronomy, FOS: Physical sciences, 010402 general chemistry, Machine learning, computer.software_genre, 01 natural sciences, symbols.namesake, Physics - Chemical Physics, 0103 physical sciences, Non-covalent interactions, Molecular orbital, Physical and Theoretical Chemistry, Gaussian process, chemistry.chemical_classification, Physics, Chemical Physics (physics.chem-ph), 010304 chemical physics, business.industry, Size consistency and size extensivity, Transition state, Chemical space, 0104 chemical sciences, chemistry, symbols, Artificial intelligence, business, computer
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7f9be3e94885c8610fb37ca1d5e31c54
http://arxiv.org/abs/2010.03626 -
4
المؤلفون: Stefan Fischer, Tamara Husch, Erick M. Carreira, Cornelius Gropp, François Diederich, Nils Trapp
مصطلحات موضوعية: 010405 organic chemistry, Stereochemistry, Chemistry, Receptors, Artificial, Stereoisomerism, General Chemistry, Crystallography, X-Ray, 010402 general chemistry, Lipids, 01 natural sciences, Biochemistry, Small molecule, Catalysis, 0104 chemical sciences, Alkadienes, Colloid and Surface Chemistry, Enantiopure drug, Molecular recognition, Alkynes, Thermodynamics, Crystallization, Receptor, Cage
وصف الملف: application/zip; application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::32167eacf682ab8fe72ed0c0be16f469
https://resolver.caltech.edu/CaltechAUTHORS:20200302-145210367 -
5
المؤلفون: François Diederich, Markus Reiher, Cornelius Gropp, Nils Trapp, Tamara Husch
المصدر: Journal of the American Chemical Society, 139 (35)
مصطلحات موضوعية: Halogen bond, 010405 organic chemistry, Chemistry, General Chemistry, Dihedral angle, 010402 general chemistry, Ring (chemistry), 01 natural sciences, Biochemistry, Small molecule, Catalysis, 0104 chemical sciences, Crystallography, Colloid and Surface Chemistry, Enantiopure drug, Molecule, Dispersion (chemistry), Conformational isomerism
-
6
المؤلفون: Christoph Schütter, Martin Korth, Andrea Balducci, Stefano Passerini, Tamara Husch, Venkatasubramanian Viswanathan
المصدر: Journal of Power Sources. 326:541-548
مصطلحات موضوعية: Materials science, Renewable Energy, Sustainability and the Environment, Rational design, Energy Engineering and Power Technology, New materials, Nanotechnology, 02 engineering and technology, Electrolyte, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Chemical space, 0104 chemical sciences, Electrical and Electronic Engineering, Physical and Theoretical Chemistry, 0210 nano-technology, Electrochemical double layer capacitor
-
7
المؤلفون: Markus Reiher, Tamara Husch, Cornelius Gropp, Nils Trapp, François Diederich
المصدر: Angewandte Chemie. International Edition, 57 (50)
مصطلحات موضوعية: Models, Molecular, Supramolecular chemistry, Crystallography, X-Ray, 010402 general chemistry, 01 natural sciences, Catalysis, Molecular recognition, Receptor, 010405 organic chemistry, Chemistry, Enantioselective synthesis, Water, Hydrogen Bonding, Stereoisomerism, General Chemistry, Cyclohexanols, Norbornanes, Affinities, 0104 chemical sciences, 3. Good health, Crystallography, Enantiopure drug, Docking (molecular), Alkynes, Cage, Hydrogen
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bd00e57aefec2b651a64560be9734585
https://hdl.handle.net/20.500.11850/311070 -
8
المؤلفون: Markus Reiher, Tamara Husch
المصدر: Journal of chemical theory and computation. 14(10)
مصطلحات موضوعية: Physics, Chemical Physics (physics.chem-ph), 010304 chemical physics, NDDO, biology, Basis (linear algebra), FOS: Physical sciences, Basis function, Computational Physics (physics.comp-ph), 010402 general chemistry, biology.organism_classification, 01 natural sciences, Diatomic molecule, 0104 chemical sciences, Computer Science Applications, Physics - Chemical Physics, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Molecular orbital, Perturbation theory (quantum mechanics), Statistical physics, Physical and Theoretical Chemistry, Physics - Computational Physics, Differential (mathematics), Eris
-
9
المؤلفون: Christoph Schütter, Martin Korth, Promit Ray, Sebastian Dohm, Andrea Balducci, Tamara Husch, Kristin A. Persson, Barbara Kirchner
المصدر: JOURNAL OF PHYSICAL CHEMISTRY C, vol 120, iss 23
The Journal of Physical Chemistry C, vol 120, iss 23
Ray, P; Dohm, S; Husch, T; Schuetter, C; Persson, KA; Balducci, A; et al.(2016). Insights into Bulk Electrolyte Effects on the Operative Voltage of Electrochemical Double-Layer Capacitors. JOURNAL OF PHYSICAL CHEMISTRY C, 120(23), 12325-12336. doi: 10.1021/acs.jpcc.6b00891. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/0419c6khمصطلحات موضوعية: Technology, Nanotechnology, 02 engineering and technology, Electrolyte, 010402 general chemistry, Electrochemistry, Physical Chemistry, 01 natural sciences, Quantum chemistry, Energy storage, law.invention, chemistry.chemical_compound, Engineering, Affordable and Clean Energy, law, Cluster (physics), Physical and Theoretical Chemistry, 021001 nanoscience & nanotechnology, Adiponitrile, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Capacitor, General Energy, chemistry, Chemical Sciences, 0210 nano-technology, Voltage
وصف الملف: application/pdf
-
10
المؤلفون: Tamara Husch, Leon Freitag, Markus Reiher
مصطلحات موضوعية: Ab initio, Semiclassical physics, FOS: Physical sciences, 010402 general chemistry, 01 natural sciences, Molecular physics, Dissociation (chemistry), Coordination complex, Condensed Matter - Strongly Correlated Electrons, Transition metal, Physics - Chemical Physics, 0103 physical sciences, Molecule, Physical and Theoretical Chemistry, chemistry.chemical_classification, Physics, Chemical Physics (physics.chem-ph), 010304 chemical physics, Strongly Correlated Electrons (cond-mat.str-el), Computational Physics (physics.comp-ph), Ligand (biochemistry), 3. Good health, 0104 chemical sciences, Computer Science Applications, chemistry, Large deviations theory, Physics - Computational Physics
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b33e732321eb179bb12e44007f597441