-
1دورية أكاديمية
المصدر: Liquids, Vol 3, Iss 1, Pp 159-167 (2023)
مصطلحات موضوعية: atomistic simulation, hyperpolarizability, electrides, polar solvents, Organic chemistry, QD241-441
وصف الملف: electronic resource
-
2Free-Energy Landscape of the SN2 Reaction CH3Br + Cl– → CH3Cl + Br– in Different Liquid Environments
المؤلفون: Danillo Valverde, Herbert C. Georg, Sylvio Canuto
المصدر: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USPمصطلحات موضوعية: SOLVENTE, Materials Chemistry, Physical and Theoretical Chemistry, Surfaces, Coatings and Films
-
3
المصدر: Physical Chemistry Chemical Physics. 22:17314-17324
مصطلحات موضوعية: Materials science, Chloroform, General Physics and Astronomy, Hyperpolarizability, chemistry.chemical_element, Electron, QM/MM, Solvent, chemistry.chemical_compound, chemistry, Chemical physics, Cluster (physics), Lithium, Physical and Theoretical Chemistry, Polarization (electrochemistry)
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::85d6f6e335c92c044ec8eb0c28e57040
https://doi.org/10.1039/d0cp01268h -
4
المصدر: Chemical Physics Letters. 796:139549
مصطلحات موضوعية: General Physics and Astronomy, Physical and Theoretical Chemistry
-
5
المصدر: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USPمصطلحات موضوعية: Range (particle radiation), Aqueous solution, Materials science, 010304 chemical physics, MECÂNICA QUÂNTICA, General Physics and Astronomy, Thermodynamics, Hyperpolarizability, Dielectric, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Solvent, Dipole, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Density functional theory, Physics::Chemical Physics, Physical and Theoretical Chemistry, Perturbation theory
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4904bc0abcd2cb3e1ffccc60ce148af6
-
6
المصدر: Physical chemistry chemical physics : PCCP. 22(30)
URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::69eb04051fc0e7341cf311832281d3bd
https://pubmed.ncbi.nlm.nih.gov/32691034 -
7
المؤلفون: E.M. Torres, Marcos A. Castro, Tertius L. Fonseca, Herbert C. Georg
المصدر: Chemical Physics Letters. 699:261-266
مصطلحات موضوعية: Chloroform, 010304 chemical physics, General Physics and Astronomy, Hyperpolarizability, 010402 general chemistry, 01 natural sciences, Molecular mechanics, 0104 chemical sciences, Solvent, chemistry.chemical_compound, Betaine, chemistry, 0103 physical sciences, Physical chemistry, Pyridinium, Methanol, Physical and Theoretical Chemistry, Acetonitrile
-
8
المصدر: Chemical Physics Letters. 669:176-180
مصطلحات موضوعية: Physics, 010304 chemical physics, General Physics and Astronomy, Hyperpolarizability, Nanotechnology, 010402 general chemistry, Polarization (waves), Electrostatics, Supermolecule, 01 natural sciences, Molecular physics, 0104 chemical sciences, Dipole, Polarizability, Phase (matter), 0103 physical sciences, Physics::Atomic and Molecular Clusters, Molecule, Physics::Atomic Physics, Physics::Chemical Physics, Physical and Theoretical Chemistry
-
9
المؤلفون: Zélia Maria Da Costa Ludwig, Sylvio Canuto, Danillo Valverde, Herbert C. Georg, Valdemir Ludwig
المصدر: Journal of Molecular Liquids. 319:114109
مصطلحات موضوعية: Physics::Biological Physics, Quantitative Biology::Biomolecules, Work (thermodynamics), Aqueous solution, Chemistry, Hydrogen bond, Chemical shift, Cationic polymerization, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, Electronic, Optical and Magnetic Materials, Solvent, Chemical physics, Materials Chemistry, Water environment, Molecule, Physics::Chemical Physics, Physical and Theoretical Chemistry, 0210 nano-technology, Spectroscopy
-
10
المصدر: Chemical Physics Letters. 736:136798
مصطلحات موضوعية: Energy gradient, Materials science, Relaxation (NMR), Mesoionic, General Physics and Astronomy, Hyperpolarizability, Geometry, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Ring (chemistry), 01 natural sciences, 0104 chemical sciences, Solvent, Nonlinear system, chemistry.chemical_compound, chemistry, Molecular electronic structure, Physical and Theoretical Chemistry, 0210 nano-technology