المؤلفون: Arnab Bose, Gabriel A. Valdivia-Berroeta, Nina C. Gonnella

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Physiology, Pharmacology, Biotechnology, Chemical Sciences not elsewhere classified, sulfide oxidation among, point energy calculations, obtain electronic energies, density functional theory, active pharmaceutical ingredients, contain sulfur atoms, process employed b3lyp, low oxidative susceptibility, small organic molecules, commercial drugs examined, 311 ++ g, sulfur atom ’, sulfur atom, organic molecule, like molecules, employed b3p86, compound ’, oxidative stress, oxidative stability, stability assessment, risk scale, results showed, relative propensities

Relation: https://figshare.com/articles/journal_contribution/Predicting_Autoxidation_of_Sulfides_in_Drug-like_Molecules_Using_Quantum_Mechanical_Density_Functional_Theory_Methods/24891121

الاتاحة: https://doi.org/10.1021/acs.jcim.3c01158.s001
https://figshare.com/articles/journal_contribution/Predicting_Autoxidation_of_Sulfides_in_Drug-like_Molecules_Using_Quantum_Mechanical_Density_Functional_Theory_Methods/24891121

المؤلفون: Chloe C. Ence (11237081), Erin E. Martinez (8039366), Samuel R. Himes (11237084), S. Hadi Nazari (2827739), Mariur Rodriguez Moreno (11226556), Manase F. Matu (11237087), Samantha G. Larsen (11237090), Kyle J. Gassaway (8039372), Gabriel A. Valdivia-Berroeta (4508767), Stacey J. Smith (1338699), Daniel H. Ess (1323651), David J. Michaelis (1583305)

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, substrate competition experiments, isotope effect experiments, Bimetallic Pd complexes, aryl iodide, bidentate 2- phosphinoimidazole ligands, bimetallic, monometallic Pd catalysts, naphthalene, sequential ketone α- arylation, Excellent substrate scope

Relation: https://figshare.com/articles/journal_contribution/Experiment_and_Theory_of_Bimetallic_Pd-Catalyzed_Arylation_and_Annulation_for_Naphthalene_Synthesis/15116975

الاتاحة: https://doi.org/10.1021/acscatal.1c02731.s001

المؤلفون: Gabriel A. Valdivia-Berroeta (11146067), Kanika Sarpal (7816574), Nina C. Gonnella (1479187)

مصطلحات موضوعية: Biophysics, Biochemistry, Pharmacology, Evolutionary Biology, Developmental Biology, Inorganic Chemistry, Infectious Diseases, Virology, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, predicted chemical shifts, calculated chemical shifts, density functional theory, predicted crystal structures, similar ssnmr spectra, operant probability theory, robust method using, 13 , c ssnmr data, probability theory, crystal solutions, c ssnmr, ± 6, statistical distribution, quantum chemistry, gauge including, either experimental, crystalline polymorphs, correct polymorph, augmented wave

Relation: https://figshare.com/articles/journal_contribution/OPTICS_Operant_Probability_Theory_in_Crystal_Solutions_Application_of_ssNMR_and_Probability_Theory_in_Polymorph_Identification/16617286

الاتاحة: https://doi.org/10.1021/acs.cgd.1c00797.s001

المؤلفون: Gabriel A. Valdivia-Berroeta (11146067), Isaac C. Tangen (11146070), Charles B. Bahr (11146073), Karissa C. Kenney (8039378), Erika W. Jackson (11146076), Jess DeLagange (11146079), David J. Michaelis (1583305), Jeremy A. Johnson (11146082)

مصطلحات موضوعية: Biochemistry, Microbiology, Molecular Biology, Developmental Biology, Cancer, Infectious Diseases, Plant Biology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, EHPSI -4NBS, novel crystal features, THz generation applications, crystals exhibit phonon absorptions, NLO, DAST, BNA, HMQ-TMS, EHPSI -4NBS Nonlinear, OH, high-field THz science

Relation: https://figshare.com/articles/journal_contribution/Crystal_Growth_Tetrahertz_Generation_and_Optical_Characterization_of_EHPSI-4NBS/14995106

الاتاحة: https://doi.org/10.1021/acs.jpcc.1c01698.s001

المؤلفون: Gabriel A. Valdivia-Berroeta (4508767), Zachary B. Zaccardi (13282419), Sydney K. F. Pettit (14407164), Sin-Hang Ho (14407167), Bruce Wayne Palmer (14407170), Matthew J. Lutz (13282428), Claire Rader (13282413), Brittan P. Hunter (14407173), Natalie K. Green (13282425), Connor Barlow (14407176)

مصطلحات موضوعية: Physics (arXiv), cond-mat.mtrl-sci (arXiv), physics.optics (arXiv)

Relation: https://figshare.com/articles/preprint/Data_Mining_for_Terahertz_Generation_Crystals/21880983

الاتاحة: https://doi.org/10.48550/arxiv.2109.04929

المؤلفون: Bruce Wayne H. Palmer, Claire Rader, Enoch Sin-Hang Ho, Zachary B. Zaccardi, Daisy J. Ludlow, Natalie K. Green, Matthew J. Lutz, Aldair Alejandro, Megan F. Nielson, Gabriel A. Valdivia-Berroeta, Caitlin C. Chartrand, Kayla M. Holland, Stacey J. Smith, Jeremy A. Johnson, David J. Michaelis

المصدر: ACS Applied Electronic Materials. 4:4316-4321

مصطلحات موضوعية: Materials Chemistry, Electrochemistry, Electronic, Optical and Magnetic Materials

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::f14efa54acc07b327f2a4cc0fd22db11
https://doi.org/10.1021/acsaelm.2c00592

المؤلفون: Zachary B. Zaccardi, Isaac C. Tangen, Gabriel A. Valdivia-Berroeta, Charles B. Bahr, Karissa C. Kenney, Claire Rader, Matthew J. Lutz, Brittan P. Hunter, David J. Michaelis, Jeremy A. Johnson

مصطلحات موضوعية: Physics (arXiv), physics.optics (arXiv)

Relation: https://figshare.com/articles/preprint/Enabling_High-Power_Broadband_THz_Generation_with_800-nm_Pump_Wavelength/24704031

الاتاحة: https://doi.org/10.48550/arxiv.2010.02380
https://figshare.com/articles/preprint/Enabling_High-Power_Broadband_THz_Generation_with_800-nm_Pump_Wavelength/24704031

المؤلفون: Gabriel A. Valdivia-Berroeta, Nina C. Gonnella, Kanika Sarpal

المصدر: Crystal Growth & Design. 21:5904-5913

مصطلحات موضوعية: Crystal, Identification (information), Materials science, Probability theory, General Materials Science, Operant conditioning, General Chemistry, Statistical physics, Condensed Matter Physics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::e29f6bb233deb3cd2a1b8ce841cf017e
https://doi.org/10.1021/acs.cgd.1c00797

المؤلفون: Mariur Rodriguez Moreno, Stacey J. Smith, Daniel H. Ess, David J. Michaelis, Kyle J. Gassaway, S. Hadi Nazari, Erin E. Martinez, Samuel R. Himes, Manase F. Matu, Gabriel A. Valdivia-Berroeta, Chloe C. Ence, Samantha G. Larsen

المصدر: ACS Catalysis. 11:10394-10404

مصطلحات موضوعية: Annulation, Chemistry, Naphthalene synthesis, General Chemistry, Bimetallic strip, Medicinal chemistry, Catalysis

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::42ffe9913380d1c1ca44741b87b13636
https://doi.org/10.1021/acscatal.1c02731

المؤلفون: David J. Michaelis, Jeremy A. Johnson, Isaac C. Tangen, Charles B. Bahr, Jess DeLagange, Gabriel A. Valdivia-Berroeta, Erika W. Jackson, Karissa C. Kenney

المصدر: The Journal of Physical Chemistry C. 125:16097-16102

مصطلحات موضوعية: General Energy, Materials science, business.industry, Optoelectronics, Crystal growth, Physical and Theoretical Chemistry, business, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Characterization (materials science)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::4035e16c7ab0bde4a9c41eecfaba28b0
https://doi.org/10.1021/acs.jpcc.1c01698

المؤلفون: Gabriel A. Valdivia‐Berroeta, Zachary B. Zaccardi, Sydney K. F. Pettit, (Enoch) Sin‐Hang Ho, Bruce Wayne Palmer, Matthew J. Lutz, Claire Rader, Brittan P. Hunter, Natalie K. Green, Connor Barlow, Coriantumr Z. Wayment, Daisy J. Ludlow, Paige Petersen, Stacey J. Smith, David J. Michaelis, Jeremy A. Johnson

المصدر: 2022 47th International Conference on Infrared, Millimeter and Terahertz Waves (IRMMW-THz).

مصطلحات موضوعية: Condensed Matter - Materials Science, Mechanics of Materials, Mechanical Engineering, Physics::Optics, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, General Materials Science, Physics - Optics, Optics (physics.optics)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9ae3a2d5f6130735f9a20019081585d7
https://doi.org/10.1109/irmmw-thz50927.2022.9896114

المؤلفون: Christopher A. Jensen, S. Hadi Nazari, Gabriel A. Valdivia-Berroeta, Erin E. Martinez, David J. Michaelis, Stacey J. Smith, Karissa C. Kenney, Alexandra J. S. Larson, Daniel H. Ess, Kyle J. Clark

المصدر: Advanced Synthesis & Catalysis. 362:2876-2881

مصطلحات موضوعية: Chemistry, chemistry.chemical_element, General Chemistry, Medicinal chemistry, Coupling reaction, Catalysis, Palladium

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::547d75d7f10679868f1fa506431fa8da
https://doi.org/10.1002/adsc.202000483

المؤلفون: (Enoch) Sin-Hang Ho, Gabriel A. Valdivia-Berroeta, Claire Rader, Natalie K. Green, Daisy J. Ludlow, Paige Petersen, Caitlin Chartrand, Connor Barlow, Stacey J. Smith, David J. Michaelis, Jeremy A. Johnson

المصدر: Frontiers in Optics + Laser Science 2022 (FIO, LS).

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::272da215ebefc7a9766fa6728c661d77
https://doi.org/10.1364/fio.2022.jtu5a.20

المؤلفون: Natalie K. Green, Bruce Wayne Palmer, Claire Rader, (Enoch) Sin-Hang Ho, Zac Zaccardi, Daisy J. Ludlow, Matthew J. Lutz, Aldair Alejandro, Megan F. Nielson, Gabriel A. Valdivia-Berroeta, Caitlin Chartrand, Paige Peterson, David J. Michaelis, Jeremy A. Johnson

المصدر: Frontiers in Optics + Laser Science 2022 (FIO, LS).

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::c3cc09cac1a5c43f135cf4aa4f341141
https://doi.org/10.1364/fio.2022.jw5b.22

المؤلفون: Joseph C. Bloxham, Karissa C. Kenney, Erika W. Jackson, Adam X. Wayment, David J. Michaelis, Jeremy A. Johnson, Gabriel A. Valdivia-Berroeta, Daniel J. Brock, Stacey J. Smith

المصدر: Journal of Materials Chemistry C. 8:11079-11087

مصطلحات موضوعية: Wavelength, Planar, Materials science, Chemical physics, Terahertz radiation, Materials Chemistry, Molecule, Hyperpolarizability, General Chemistry, Crystal structure, Chromophore, Absorption (electromagnetic radiation)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::4d3e018a26af77f614401be73f992cd3
https://doi.org/10.1039/d0tc01829e

المؤلفون: S. Hadi Nazari, Chloe C. Ence, Erin E. Martinez, Daniel H. Ess, Mariur Rodriguez Moreno, Samantha G. Kulka, Manase F. Matu, David J. Michaelis, Gabriel A. Valdivia-Berroeta, Stacey J. Smith, Kyle J. Gassaway

مصطلحات موضوعية: chemistry.chemical_compound, chemistry, Dimer, Naphthalene synthesis, Polymer chemistry, chemistry.chemical_element, Cooperativity, Bimetallic strip, Organometallic chemistry, Catalysis, Palladium

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::57fcfb439f9746e414476d5040c5e3e7
https://doi.org/10.26434/chemrxiv.13010528.v1

المؤلفون: Ana Sofia Ortega-Villarreal, Israel López, Miguel A. Reyes-González, Christopher T. Jensen, Samuel Garrard, David J. Michaelis, Gabriel A. Valdivia-Berroeta, Eugenio Hernández-Fernández, Kenneth A. Christensen, Stacey J. Smith

المصدر: RSC Advances. 9:8759-8767

مصطلحات موضوعية: Acrylate, Chemistry, General Chemical Engineering, 02 engineering and technology, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Fluorescence, Combinatorial chemistry, 0104 chemical sciences, Characterization (materials science), chemistry.chemical_compound, Live cell imaging, Microwave irradiation, Molecule, 0210 nano-technology, Cytotoxicity, Cell based

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::736088b57c485a052973ce099e5ff8ec
https://doi.org/10.1039/c9ra00108e

المؤلفون: Gabriel A. Valdivia-Berroeta, David J. Michaelis, Stacey J. Smith, Michael R. Talley, S. Hadi Nazari, Jefferson E. Bourdeau

المصدر: ACS Catalysis. 8:86-89

مصطلحات موضوعية: inorganic chemicals, chemistry.chemical_classification, Allylic rearrangement, Denticity, 010405 organic chemistry, Ligand, organic chemicals, Aryl, Alkyne, General Chemistry, 010402 general chemistry, 01 natural sciences, Catalysis, 0104 chemical sciences, chemistry.chemical_compound, chemistry, Suzuki reaction, Polymer chemistry, Organic chemistry, Carbene, Phosphine

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::5c518a3377f3d69b7b9608664e01d5d2
https://doi.org/10.1021/acscatal.7b03079

المؤلفون: Steven R. E. Draper, Gabriel A. Valdivia-Berroeta, Rachael R. Flansburg, David J. Michaelis, Michael J. Kinghorn, Joshua L. Price, M.S. Smith, Jared S. Duval, Bryan M. Masino, Chloe C. Ence, Samuel B. Cahoon, Donalee R. Chantry, Cory J. Conder

المصدر: ACS Catalysis. 7:7704-7708

مصطلحات موضوعية: 010405 organic chemistry, Chemistry, Imidazolidinone, Stereochemistry, Rational design, General Chemistry, Alkylation, 010402 general chemistry, 01 natural sciences, Catalysis, 0104 chemical sciences, chemistry.chemical_compound, Reactivity (chemistry), Organic synthesis, Selectivity, Bifunctional

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::0eaf3c22fd427450ae9a622681c28ba6
https://doi.org/10.1021/acscatal.7b02699

المؤلفون: Zachary B. Zaccardi, Gabriel A. Valdivia-Berroeta, Larry K. Heki, Charles B. Bahr, Isaac C. Tangen, Sin-Hang Ho, Erika W. Jackson, Jeremy A. Johnson, David J. Michaelis

مصطلحات موضوعية: Condensed Matter - Materials Science, Materials science, business.industry, Terahertz radiation, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Statistical and Nonlinear Physics, Atomic and Molecular Physics, and Optics, Terahertz spectroscopy and technology, Crystal, Optical rectification, Wavelength, Electric field, Broadband, Optoelectronics, business, Excitation, Physics - Optics, Optics (physics.optics)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::31443648b31ce529784a73c59fd3882c