المؤلفون: Beth A. Lindquist, Ryan B. Jadrich, Jeffery A. Leiding

مصطلحات موضوعية: Biophysics, Biotechnology, Ecology, Developmental Biology, Mathematical Sciences not elsewhere classified, reproduce experimental data, materials requires knowledge, include chemical reactivity, coupled cluster theory, computational cost remains, achieve good agreement, several open questions, principles performance prediction, two additional hes, relevant molecular species, high explosives enabled, dft energetic description, density functional theory, 4 ′- azoxyfurazan, 3 ′- diamino, product state using, product eos development, product states, product state, principles predictions, outstanding questions, wide range, temperature conditions, successfully applied, single type

Relation: https://figshare.com/articles/journal_contribution/First-Principles_Performance_Prediction_of_High_Explosives_Enabled_by_Machine_Learning/25303821

الاتاحة: https://doi.org/10.1021/acs.jpcc.3c07407.s001
https://figshare.com/articles/journal_contribution/First-Principles_Performance_Prediction_of_High_Explosives_Enabled_by_Machine_Learning/25303821

المؤلفون: Beth A. Lindquist

المصدر: The Journal of chemical physics. 154(17)

مصطلحات موضوعية: Physics, Work (thermodynamics), Kullback–Leibler divergence, 010304 chemical physics, General Physics and Astronomy, Inverse, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, 0103 physical sciences, Cluster (physics), Statistical physics, Sensitivity (control systems), Minification, Physical and Theoretical Chemistry, Cluster analysis, Physical quantity

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::47c9274a6393cae44efbf089ae2e2cea
https://pubmed.ncbi.nlm.nih.gov/34241069

المؤلفون: Ryan B. Jadrich, Beth A. Lindquist, Thomas M. Truskett

المصدر: The Journal of Chemical Physics. 157:084116

مصطلحات موضوعية: Chemical Physics (physics.chem-ph), Statistical Mechanics (cond-mat.stat-mech), Physics - Chemical Physics, FOS: Physical sciences, General Physics and Astronomy, Physical and Theoretical Chemistry, Condensed Matter - Statistical Mechanics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7ef10a348f26aee068c6f2ea354f2e1b
https://doi.org/10.1063/5.0096276

المؤلفون: Beth A. Lindquist, Ryan B. Jadrich

المصدر: Journal of Applied Physics. 131:155104

مصطلحات موضوعية: General Physics and Astronomy

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::d3216e34ccdaefd88bbba128c1b9dbf8
https://doi.org/10.1063/5.0087210

المؤلفون: Beth A. Lindquist, Ryan B. Jadrich, Thomas M. Truskett, Michael P. Howard, Zachary Sherman

مصطلحات موضوعية: Structure (mathematical logic), 010304 chemical physics, Computer science, Distributed computing, Perspective (graphical), General Physics and Astronomy, Inverse, FOS: Physical sciences, Condensed Matter - Soft Condensed Matter, 010402 general chemistry, Translation (geometry), 01 natural sciences, Soft materials, 0104 chemical sciences, Realizability, 0103 physical sciences, Leverage (statistics), Soft Condensed Matter (cond-mat.soft), Limit (mathematics), Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4d9928593abea3bcebd91fc31366fcd3

المؤلفون: Ryan B. Jadrich, Thomas M. Truskett, Fardin Khabaz, Beth A. Lindquist, Michael P. Howard, Delia J. Milliron, Roger T. Bonnecaze

المصدر: The Journal of chemical physics. 151(12)

مصطلحات موضوعية: chemistry.chemical_classification, Materials science, 010304 chemical physics, FOS: Physical sciences, General Physics and Astronomy, Polymer, Condensed Matter - Soft Condensed Matter, engineering.material, 010402 general chemistry, Microstructure, 01 natural sciences, 0104 chemical sciences, Colloid, Chemical engineering, chemistry, Phase (matter), 0103 physical sciences, Equilibrium gel, engineering, Soft Condensed Matter (cond-mat.soft), Molecule, Physical and Theoretical Chemistry, Realization (systems), Linker

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a90120996879391562e8c1bdfe5282f9
https://pubmed.ncbi.nlm.nih.gov/31575167

المؤلفون: Beth A. Lindquist, Tyler Y. Takeshita, Thom H. Dunning

المصدر: The Journal of Physical Chemistry A. 120:2720-2726

مصطلحات موضوعية: Ozone, Valence (chemistry), 010304 chemical physics, Hydrogen, Triatomic molecule, chemistry.chemical_element, Electronic structure, 010402 general chemistry, Photochemistry, 01 natural sciences, Sulfur, 0104 chemical sciences, chemistry.chemical_compound, chemistry, 0103 physical sciences, Atom, Physical and Theoretical Chemistry, Generalized valence bond

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d1479b901357d64479c4e3c45ea68040
https://doi.org/10.1021/acs.jpca.6b02014

المؤلفون: Beth A. Lindquist, Tyler Y. Takeshita, Lu T. Xu, Thom H. Dunning

المصدر: The Journal of Physical Chemistry A. 120:1763-1778

مصطلحات موضوعية: Valence (chemistry), 010304 chemical physics, Chemistry, Hypervalent molecule, Electronic structure, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Modern valence bond theory, Atomic orbital, Computational chemistry, Quantum mechanics, 0103 physical sciences, Valence bond theory, Physical and Theoretical Chemistry, Wave function, Generalized valence bond

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ab467e922a5e596666f61a57c1206b83
https://doi.org/10.1021/acs.jpca.5b12335

المؤلفون: Debapriya Banerjee, Beth A. Lindquist, Thomas M. Truskett, Ryan B. Jadrich

المصدر: The Journal of Chemical Physics. 152:199901

مصطلحات موضوعية: Physics, Quantum mechanics, Isotropy, General Physics and Astronomy, Particle, Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::9b5aa95c56f6b3e2af479dd6ae437801
https://doi.org/10.1063/5.0011628

المؤلفون: Michael P. Howard, Thomas M. Truskett, Ryan B. Jadrich, Beth A. Lindquist

مصطلحات موضوعية: Work (thermodynamics), Kullback–Leibler divergence, 010304 chemical physics, Statistical Mechanics (cond-mat.stat-mech), Computer science, Isotropy, Design for assembly, General Physics and Astronomy, Inverse, FOS: Physical sciences, Condensed Matter - Soft Condensed Matter, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, 0103 physical sciences, Cluster (physics), Soft Condensed Matter (cond-mat.soft), Pairwise comparison, Statistical physics, Physical and Theoretical Chemistry, Realization (systems), Condensed Matter - Statistical Mechanics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1e72e505f32fecc2593bed5f65655609

المؤلفون: Thomas M. Truskett, Beth A. Lindquist, Ryan B. Jadrich

المصدر: The Journal of chemical physics. 148(19)

مصطلحات موضوعية: Materials science, Basis (linear algebra), Dispersity, General Physics and Astronomy, 02 engineering and technology, 021001 nanoscience & nanotechnology, 01 natural sciences, law.invention, Condensed Matter::Soft Condensed Matter, law, Chemical physics, Phase (matter), 0103 physical sciences, Particle size, Physical and Theoretical Chemistry, Crystallization, 010306 general physics, 0210 nano-technology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::00143b9d3d54162bc22c8210210e0e67
https://pubmed.ncbi.nlm.nih.gov/30307235

المؤلفون: Ryan B. Jadrich, Beth A. Lindquist, Thomas M. Truskett

مصطلحات موضوعية: Phase transition, Computer science, FOS: Physical sciences, General Physics and Astronomy, 02 engineering and technology, 01 natural sciences, Phase (matter), Lattice (order), 0103 physical sciences, Physical and Theoretical Chemistry, 010306 general physics, Routine analysis, Condensed Matter - Statistical Mechanics, Statistical Mechanics (cond-mat.stat-mech), Liquid crystalline, business.industry, Pattern recognition, Computational Physics (physics.comp-ph), 021001 nanoscience & nanotechnology, Principal component analysis, Unsupervised learning, A priori and a posteriori, Artificial intelligence, 0210 nano-technology, business, Physics - Computational Physics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::62761d5771f2425260b624b35aa4dc39
http://arxiv.org/abs/1808.00084

المؤلفون: Beth A. Lindquist, Thomas M. Truskett, William D. Piñeros, Ryan B. Jadrich

المصدر: The journal of physical chemistry. B. 122(21)

مصطلحات موضوعية: Particle system, Kullback–Leibler divergence, Computer science, Isotropy, Inverse, Quasicrystal, 02 engineering and technology, Design strategy, Frank Kasper phases, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, Surfaces, Coatings and Films, Condensed Matter::Materials Science, Self assembling, Materials Chemistry, Statistical physics, Physical and Theoretical Chemistry, 0210 nano-technology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6c660f56de15767120868377ef083c79
https://pubmed.ncbi.nlm.nih.gov/29486558

المؤلفون: Amita Singh, Beth A. Lindquist, Gary K. Ong, Ryan B. Jadrich, Ajay Singh, Heonjoo Ha, Christopher J. Ellison, Thomas M. Truskett, Delia J. Milliron

المصدر: Angewandte Chemie. 127:15053-15057

مصطلحات موضوعية: General Medicine

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::d317eabf40250cbe39c5e24fe0770797
https://doi.org/10.1002/ange.201508641

المؤلفون: Thom H. Dunning, Beth A. Lindquist, Tyler Y. Takeshita

المصدر: The Journal of Physical Chemistry A. 119:7683-7694

مصطلحات موضوعية: chemistry.chemical_classification, Double bond, Chemical bond, Covalent bond, Chemical physics, Chemistry, Diradical, Single bond, Physical and Theoretical Chemistry, Photochemistry, Open shell, Bond order, Generalized valence bond

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::e8c28098e92c9f4a5f616e926d55d42d
https://doi.org/10.1021/acs.jpca.5b00998

المؤلفون: Beth A. Lindquist, Gary K. Ong, Thomas M. Truskett, Delia J. Milliron, Ankit Agrawal, Camila A. Saez Cabezas, Ryan B. Jadrich

مصطلحات موضوعية: chemistry.chemical_classification, Multidisciplinary, Materials science, Photoluminescence, Condensed Matter - Mesoscale and Nanoscale Physics, Small-angle X-ray scattering, Oxide, FOS: Physical sciences, Nanotechnology, 02 engineering and technology, Polymer, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, chemistry.chemical_compound, chemistry, Nanocrystal, Physical Sciences, Mesoscale and Nanoscale Physics (cond-mat.mes-hall), Surface plasmon resonance, 0210 nano-technology, Nanoscopic scale, Plasmon

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4b7c363d9f2789609036e1a31759a0f0

المؤلفون: David E. Woon, Thom H. Dunning, Beth A. Lindquist, Tyler Y. Takeshita

المصدر: Journal of Chemical Theory and Computation. 9:4444-4452

مصطلحات موضوعية: Crystallography, Oxygen atom, chemistry, Diradical, Inorganic chemistry, chemistry.chemical_element, Physical and Theoretical Chemistry, Oxygen, Sulfur, Generalized valence bond, Computer Science Applications

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3fd9af99eb9311d886bb11cbe15ea265
https://doi.org/10.1021/ct4006536

المؤلفون: Thom H. Dunning, Beth A. Lindquist

المصدر: The Journal of Physical Chemistry Letters. 4:3139-3143

مصطلحات موضوعية: Bond length, Chemical bond, Chemical physics, Computational chemistry, Chemistry, Sextuple bond, Three-center two-electron bond, Single bond, General Materials Science, Physical and Theoretical Chemistry, Bent bond, Bond order, Generalized valence bond

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::12e2bbd60861c9989f35f55598ce87bd
https://doi.org/10.1021/jz401578h

المؤلفون: Beth A. Lindquist, Ryan B. Jadrich, Thomas M. Truskett

مصطلحات موضوعية: Condensed Matter - Materials Science, Fabrication, Materials science, 010304 chemical physics, Isotropy, Probabilistic logic, General Physics and Astronomy, Inverse, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, 02 engineering and technology, Statistical mechanics, Design strategy, Condensed Matter - Soft Condensed Matter, 021001 nanoscience & nanotechnology, 01 natural sciences, Lattice (order), 0103 physical sciences, Soft Condensed Matter (cond-mat.soft), Statistical physics, Physical and Theoretical Chemistry, 0210 nano-technology, Pair potential

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::99cf8a46d7dc76a0272d4eef2f7bdc1b
http://arxiv.org/abs/1702.05021

المؤلفون: Delia J. Milliron, Thomas M. Truskett, Ryan B. Jadrich, Beth A. Lindquist, Sayantan Dutta

المصدر: Soft matter. 13(7)

مصطلحات موضوعية: Materials science, 010304 chemical physics, Statistical Mechanics (cond-mat.stat-mech), Isotropy, Dispersity, FOS: Physical sciences, 02 engineering and technology, General Chemistry, Statistical mechanics, Condensed Matter - Soft Condensed Matter, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Atomic packing factor, 01 natural sciences, Chemical physics, 0103 physical sciences, Void (composites), Soft Condensed Matter (cond-mat.soft), Absorption (chemistry), 0210 nano-technology, Porosity, Pair potential, Condensed Matter - Statistical Mechanics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eb28aa3cf4ea9ce7ca6bb06a9500ff84
https://pubmed.ncbi.nlm.nih.gov/28133680