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1دورية أكاديمية
المؤلفون: Rachael A. Holt, Paul G. Seybold
المصدر: Molecules, Vol 27, Iss 2, p 385 (2022)
مصطلحات موضوعية: pyrimidines, acidities, pKa, density-functional theory, QSAR, Organic chemistry, QD241-441
وصف الملف: electronic resource
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2
المؤلفون: Corey A. Baldasare, Paul G. Seybold
المصدر: The Journal of Physical Chemistry A. 125:3600-3605
مصطلحات موضوعية: Chemical species, Aqueous solution, 010304 chemical physics, Chemistry, Computational chemistry, 0103 physical sciences, Physical and Theoretical Chemistry, 010402 general chemistry, 01 natural sciences, Acid dissociation constant, 0104 chemical sciences
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3
المؤلفون: Corey A. Baldasare, Paul G. Seybold
المصدر: The journal of physical chemistry. A. 124(11)
مصطلحات موضوعية: Quantitative structure–activity relationship, Range (particle radiation), Aqueous solution, 010304 chemical physics, Chemistry, chemistry.chemical_element, 010402 general chemistry, 01 natural sciences, Acid dissociation constant, 0104 chemical sciences, Solvent, Computational chemistry, Ionization, 0103 physical sciences, Density functional theory, Physical and Theoretical Chemistry, Carbon
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4
المؤلفون: Gregory Arland Bowers, Paul G. Seybold
المصدر: Molecular Physics. 116:746-751
مصطلحات موضوعية: chemistry.chemical_classification, 010405 organic chemistry, Biomolecule, Biophysics, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Anthrone, Tautomer, Cellular automaton, 0104 chemical sciences, chemistry.chemical_compound, Stochastic cellular automaton, chemistry, Single species, Computational chemistry, Physical and Theoretical Chemistry, Molecular Biology
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5
المؤلفون: Jane S. Murray, Paul G. Seybold, Peter Politzer
المصدر: The Journal of Chemical Thermodynamics. 156:106382
مصطلحات موضوعية: chemistry.chemical_classification, Aqueous solution, Chemistry, Hydrogen bond, chemistry.chemical_element, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, Electronegativity, 020401 chemical engineering, Chemical physics, Polarizability, Atom, Fluorine, Molecule, Non-covalent interactions, General Materials Science, 0204 chemical engineering, Physical and Theoretical Chemistry
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6
المؤلفون: Kara L. Geremia, Paul G. Seybold
المصدر: Journal of molecular modeling. 25(1)
مصطلحات موضوعية: Quantitative structure–activity relationship, Aqueous solution, 010304 chemical physics, Chemistry, Organic Chemistry, 010402 general chemistry, 01 natural sciences, Structural framework, Catalysis, 0104 chemical sciences, Computer Science Applications, Ion, Inorganic Chemistry, Solvent, Computational Theory and Mathematics, Computational chemistry, 0103 physical sciences, Density functional theory, Physical and Theoretical Chemistry, Purine metabolism
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7
المؤلفون: Paul G. Seybold, Mary Lou Baker Jones
المصدر: Journal of Chemical Education. 93:439-443
مصطلحات موضوعية: Medical education, Term paper, ComputingMilieux_THECOMPUTINGPROFESSION, Multimedia, media_common.quotation_subject, Information literacy, 05 social sciences, 050301 education, General Chemistry, computer.software_genre, Education, Skills management, Variety (cybernetics), Wright, Presentation, ComputingMilieux_COMPUTERSANDEDUCATION, Professional ethics, 0509 other social sciences, 050904 information & library sciences, 0503 education, computer, media_common, Career development
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8
المؤلفون: Paul G. Seybold
المصدر: Molecular Physics. :1-4
مصطلحات موضوعية: chemistry.chemical_classification, Quantitative structure–activity relationship, Aqueous solution, Base (chemistry), Chemistry, Inorganic chemistry, Biophysics, chemistry.chemical_element, Condensed Matter Physics, Nitrogen, Oxygen, Acid dissociation constant, Solvent, Density functional theory, Physical and Theoretical Chemistry, Molecular Biology
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9
المصدر: Journal of Computational Science. 10:209-216
مصطلحات موضوعية: chemistry.chemical_classification, General Computer Science, Hydrogen, Counterintuitive, Complex formation, chemistry.chemical_element, Nitrogen, Theoretical Computer Science, chemistry, Chemical physics, Modeling and Simulation, Negative potential, Molecule, Non-covalent interactions, Ground state
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10
المؤلفون: Paul G. Seybold, Stephen C. Peterangelo
المصدر: Journal of Molecular Modeling. 24
مصطلحات موضوعية: Materials science, 010405 organic chemistry, Organic Chemistry, Intermolecular force, Ab initio, Thermodynamics, 010402 general chemistry, 01 natural sciences, London dispersion force, Catalysis, 0104 chemical sciences, Computer Science Applications, Inorganic Chemistry, symbols.namesake, Dipole, Computational Theory and Mathematics, Polarizability, Physics::Atomic and Molecular Clusters, symbols, Molecule, Density functional theory, Physics::Atomic Physics, Physics::Chemical Physics, Physical and Theoretical Chemistry, van der Waals force