المؤلفون: Romero, José Antonio Rodrigues

المساهمون: Probst, Michael, Limão-Vieira, Paulo, RUN

مصطلحات موضوعية: Density Functional Theory, Hartree-Fock, Radiosensitizers, Molecular Force Fields, Electron-Impact Ionization Cross sections, Green’s Function, Domínio/Área Científica::Engenharia e Tecnologia::Outras Engenharias e Tecnologias

وصف الملف: application/pdf

الاتاحة: http://hdl.handle.net/10362/176105

المؤلفون: Gunnar Jeschke

المصدر: Biomolecules; Volume 12; Issue 10; Pages: 1369

مصطلحات موضوعية: EPR spectroscopy, double electron electron resonance, FRET, ensemble model, intrinsic disorder, structural biology, site-directed spin labelling, molecular force fields

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Molecular Biophysics; https://dx.doi.org/10.3390/biom12101369

الاتاحة: https://doi.org/10.3390/biom12101369

المؤلفون: Daiki Matsubara, Kento Kasahara, Hisham M. Dokainish, Hiraku Oshima, Yuji Sugita

المصدر: Molecules; Volume 27; Issue 17; Pages: 5726

مصطلحات موضوعية: molecular dynamics simulation, enhanced sampling method, molecular force fields, van der Waals interaction, CHARMM36m, NBFIX, intrinsically disordered proteins, crowding simulations

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Bioorganic Chemistry; https://dx.doi.org/10.3390/molecules27175726

الاتاحة: https://doi.org/10.3390/molecules27175726

المؤلفون: Jeschke, Gunnar

المصدر: Biomolecules, 12 (10)

مصطلحات موضوعية: EPR spectroscopy, double electron electron resonance, FRET, ensemble model, intrinsic disorder, structural biology, site-directed spin labelling, molecular force fields

وصف الملف: application/application/pdf

Relation: info:eu-repo/semantics/altIdentifier/wos/000872286800001; info:eu-repo/grantAgreement/SNF/Projekte MINT/188467; http://hdl.handle.net/20.500.11850/578753

الاتاحة: https://hdl.handle.net/20.500.11850/578753
https://doi.org/10.3929/ethz-b-000578753

المؤلفون: Economou, Ioannis G., Krokidas, Panagiotis, Moncho, Salvador, Brothers, Edward N., Castier, Marcelo, Jeong, Hae-Kwon

مصطلحات موضوعية: diffusion, molecular force fields, oil & gas industry, info:eu-repo/classification/ddc/530, ddc:530

Relation: 12; urn:nbn:de:bsz:15-qucosa2-378382; qucosa:37838

الاتاحة: https://ul.qucosa.de/id/qucosa%3A38061
https://ul.qucosa.de/api/qucosa%3A38061/attachment/ATT-0/

المؤلفون: Aharon, Cheryl, García Guijarro, Fernando, Medina, Samara, Ramírez, Francisco J., Caballero Briceño, Rubén, Casado Cordón, Juan, Langa de la Puente, Fernando, Rozen, Shlomo

مصطلحات موضوعية: Oligo-S,S-dioxothienylenevinylenes, Molecular Force Fields

وصف الملف: application/pdf

Relation: Chemistry a European Journal; http://hdl.handle.net/10578/28993

الاتاحة: http://hdl.handle.net/10578/28993
https://doi.org/10.1002/chem.201805245

المؤلفون: Chen, Gong

المساهمون: Laboratoire Jacques-Louis Lions (LJLL (UMR_7598)), Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité), Sorbonne Université, Yvon Maday

المصدر: https://theses.hal.science/tel-04549954 ; Mathematics [math]. Sorbonne Université, 2023. English. ⟨NNT : 2023SORUS690⟩.

مصطلحات موضوعية: Graph Neural Networks, Molecular Force Fields, Molecular Representation Learning, Réseaux neuronaux graphiques, Champs de forces moléculaires, Apprentissage de représentation moléculaire, [MATH]Mathematics [math], [MATH.MATH-IT]Mathematics [math]/Information Theory [math.IT], [INFO.INFO-AI]Computer Science [cs]/Artificial Intelligence [cs.AI], [INFO.INFO-NE]Computer Science [cs]/Neural and Evolutionary Computing [cs.NE], [CHIM.MATE]Chemical Sciences/Material chemistry

Relation: NNT: 2023SORUS690

الاتاحة: https://theses.hal.science/tel-04549954
https://theses.hal.science/tel-04549954v1/document
https://theses.hal.science/tel-04549954v1/file/141419_CHEN_2023_archivage.pdf

المؤلفون: GAVEZZOTTI, ANGELO, author

المصدر: Molecular Aggregation : Structure analysis and molecular simulation of crystals and liquids, 2006, ill.

الاتاحة: https://doi.org/10.1093/acprof:oso/9780198570806.003.0002

المؤلفون: Fernando G. Guijarro, Shlomo Rozen, Cheryl Aharon, Francisco J. Ramírez, Rubén Caballero, Fernando Langa, Samara Medina Rivero, Juan Casado

المصدر: RUIdeRA. Repositorio Institucional de la UCLM
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مصطلحات موضوعية: Oligo-S,S-dioxothienylenevinylenes, 010405 organic chemistry, Chemistry, Organic Chemistry, chemistry.chemical_element, Molecular Force Fields, Aromaticity, General Chemistry, 010402 general chemistry, 01 natural sciences, Sulfur, Catalysis, 0104 chemical sciences, Interpretation (model theory), symbols.namesake, Oxygen atom, Feature (computer vision), Chemical physics, symbols, Physical chemistry, Cover (algebra), Raman spectroscopy

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2016a96600d9aeb74f381f2ad8868a6b
http://hdl.handle.net/10578/28993

المؤلفون: Parent, Benjamin, Tantar, Alexandru-Adrian, Melab, Nouredine, Talbi, El-Ghazali, Horvath, Dragos

المصدر: Studia Universitatis Babes-Bolyai. Chemia, 53 (2), 43-48 (2008)

مصطلحات موضوعية: molecular modeling, conformational sampling, protein folding simulations, genetic algorithms, massively parallel computing, molecular force fields, Physical, chemical, mathematical & earth Sciences, Chemistry, Physique, chimie, mathématiques & sciences de la terre

Relation: urn:issn:1224-7154; https://orbilu.uni.lu/handle/10993/10519; info:hdl:10993/10519; wos:000263940500006

الاتاحة: https://orbilu.uni.lu/handle/10993/10519

المؤلفون: Redington,Richard L

المساهمون: TEXAS TECH UNIV LUBBOCK DEPT OF CHEMISTRY

المصدر: DTIC AND NTIS

مصطلحات موضوعية: Polymer Chemistry, Laminates and Composite Materials, Plastics, Optics, INFRARED SPECTROSCOPY, POLYMERS, ISOLATION, MATRIX MATERIALS, MOLECULAR VIBRATION, DEFORMATION, VAPOR PHASES, MONOMERS, MOLECULE MOLECULE INTERACTIONS, MOLECULAR ROTATION, ARGON, NEON, COLLISIONS, RARE GASES, HYDROGEN FLUORIDE, VIBRATIONAL SPECTRA, HEXAMINES, Oligomers, Hexamers, Tetramers, Molecular force fields, Kinetic models, Monomer monomer collisions, Molecular relaxation, WUAFOSR2302D9

وصف الملف: text/html

Relation: http://www.dtic.mil/docs/citations/ADA074177

الاتاحة: http://www.dtic.mil/docs/citations/ADA074177
http://oai.dtic.mil/oai/oai?&verb=getRecord&metadataPrefix=html&identifier=ADA074177

المؤلفون: Rice,Stuart A

المساهمون: CHICAGO UNIV ILL JAMES FRANCK INST

المصدر: DTIC AND NTIS

مصطلحات موضوعية: Quantum Theory and Relativity, ENERGY TRANSFER, THERMAL PROPERTIES, LINEAR SYSTEMS, OSCILLATORS, EMISSION, EXPERIMENTAL DATA, EQUATIONS OF MOTION, MODELS, MOLECULAR VIBRATION, MOLECULAR STATES, EXCITATION, PHOTONS, STATISTICAL ANALYSIS, MOLECULAR ISOMERISM, MOLECULAR ENERGY LEVELS, CHEMICAL LASERS, Intramolecular energy, Ergodic theory, Molecular force fields, PE61102F, WUAFOSR2303B1

وصف الملف: text/html

Relation: http://www.dtic.mil/docs/citations/ADA071021

الاتاحة: http://www.dtic.mil/docs/citations/ADA071021
http://oai.dtic.mil/oai/oai?&verb=getRecord&metadataPrefix=html&identifier=ADA071021

المؤلفون: TEXAS TECH UNIV LUBBOCK DEPT OF CHEMISTRY, Redington,Richard L

المصدر: DTIC AND NTIS

مصطلحات الفهرس: Polymer Chemistry, Laminates and Composite Materials, Plastics, Optics, INFRARED SPECTROSCOPY, POLYMERS, ISOLATION, MATRIX MATERIALS, MOLECULAR VIBRATION, DEFORMATION, VAPOR PHASES, MONOMERS, MOLECULE MOLECULE INTERACTIONS, MOLECULAR ROTATION, ARGON, NEON, COLLISIONS, RARE GASES, HYDROGEN FLUORIDE, VIBRATIONAL SPECTRA, HEXAMINES, Oligomers, Hexamers, Tetramers, Molecular force fields, Kinetic models, Monomer monomer collisions, Molecular relaxation, WUAFOSR2302D9, Text

URL: https://apps.dtic.mil/docs/citations/ADA074177

المؤلفون: CHICAGO UNIV ILL JAMES FRANCK INST, Rice,Stuart A

المصدر: DTIC AND NTIS

مصطلحات الفهرس: Quantum Theory and Relativity, ENERGY TRANSFER, THERMAL PROPERTIES, LINEAR SYSTEMS, OSCILLATORS, EMISSION, EXPERIMENTAL DATA, EQUATIONS OF MOTION, MODELS, MOLECULAR VIBRATION, MOLECULAR STATES, EXCITATION, PHOTONS, STATISTICAL ANALYSIS, MOLECULAR ISOMERISM, MOLECULAR ENERGY LEVELS, CHEMICAL LASERS, Intramolecular energy, Ergodic theory, Molecular force fields, PE61102F, WUAFOSR2303B1, Text

URL: https://apps.dtic.mil/docs/citations/ADA071021