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1
المصدر: Molecular Physics. 101:2451-2467
مصطلحات موضوعية: Ligand field theory, Metal K-edge, Chemistry, Metal ions in aqueous solution, Biophysics, Ab initio, Condensed Matter Physics, Metal L-edge, Crystallography, Transition metal, Non-bonding orbital, Computational chemistry, Molecular orbital, Physical and Theoretical Chemistry, Molecular Biology
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::8a3796c716e5e0194a08243908a906deTest
https://doi.org/10.1080/0026897031000112415Test -
2
المؤلفون: Mendel Trachtman, Jenny P. Glusker, Charles W. Bock, Philip George
المصدر: Chemical Physics Letters. 351:454-458
مصطلحات موضوعية: Molecular dissociation, Ab initio quantum chemistry methods, Chemistry, Computational chemistry, Metal ions in aqueous solution, Ionization, Enthalpy, General Physics and Astronomy, Physical chemistry, Physical and Theoretical Chemistry, Hydrate, Dissociation (chemistry), Ion
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::12753d51609ad0afdf7e0aa3d239f676Test
https://doi.org/10.1016/s0009-2614Test(01)01399-9 -
3
المؤلفون: Charles W. Bock, Jenny P. Glusker,† and, Philip George
المصدر: The Journal of Physical Chemistry A. 104:11347-11354
مصطلحات موضوعية: Bond length, chemistry.chemical_compound, Crystallography, Fragmentation (mass spectrometry), Fission, Chemistry, Stereochemistry, Radical, Potential energy surface, Substituent, Density functional theory, Activation energy, Physical and Theoretical Chemistry
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::b2ad7a8ba8a17994700b7042ced6898aTest
https://doi.org/10.1021/jp001318gTest -
4
المصدر: The Journal of Physical Chemistry B. 103:7531-7541
مصطلحات موضوعية: chemistry.chemical_classification, biology, Chemistry, Formic acid, Hydrogen bond, Carboxylic acid, Substrate (chemistry), Active site, Protonation, Medicinal chemistry, Surfaces, Coatings and Films, Catalysis, chemistry.chemical_compound, Radical ion, mental disorders, Materials Chemistry, biology.protein, Organic chemistry, Physical and Theoretical Chemistry
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::9ded2b43cc173f02ec7733c0c6bd500fTest
https://doi.org/10.1021/jp9912962Test -
5
المصدر: Inorganic Chemistry. 37:4421-4431
مصطلحات موضوعية: Inorganic Chemistry, Bond length, Crystallography, Atomic orbital, Chemistry, Metal ions in aqueous solution, Ab initio, Molecule, Molecular orbital, Physical and Theoretical Chemistry, Elementary charge, Ion
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::60fd60afccd30121c36ec7187cd3e59fTest
https://doi.org/10.1021/ic971613oTest -
6
المؤلفون: Philip George, Jenny P. Glusker, Charles W. Bock
المصدر: Journal of Molecular Structure: THEOCHEM. 338:155-173
مصطلحات موضوعية: Bond length, Steric effects, Crystallography, Molecular geometry, Chemistry, Ab initio, Tetrahedron, Molecular orbital, Hydrogen atom, Physical and Theoretical Chemistry, Condensed Matter Physics, Ring (chemistry), Biochemistry
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::fbc4b9797def19ec067c80359e92f730Test
https://doi.org/10.1016/0166-1280Test(94)04056-x -
7
المؤلفون: Jenny P. Glusker, Charles W. Bock, Philip George
المصدر: The Journal of Physical Chemistry. 96:3702-3708
مصطلحات موضوعية: Bond length, Electronic correlation, Carbonium ion, Chemistry, Computational chemistry, General Engineering, Protonation, Molecular orbital, Physical and Theoretical Chemistry, Energy minimization, Oxonium ion, Basis set
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::a08e145af54769956dfb0343e4fb72a5Test
https://doi.org/10.1021/j100188a027Test -
8
المصدر: Structural Chemistry. 3:15-26
مصطلحات موضوعية: chemistry.chemical_classification, Angle of rotation, Double bond, Ab initio, Condensed Matter Physics, HEXA, Vibronic coupling, Crystallography, chemistry, Computational chemistry, Molecule, Physical and Theoretical Chemistry, Conformational isomerism, Cis–trans isomerism
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::fab2c3af2cd10d3b803318849a88a4efTest
https://doi.org/10.1007/bf00671976Test -
9
المؤلفون: Charles W. Bock, Philip George, Jenny P. Glusker
المصدر: Journal of Molecular Structure: THEOCHEM. 235:193-196
مصطلحات موضوعية: Standard enthalpy of reaction, Computational chemistry, Chemistry, Electron delocalization, Physical chemistry, Physical and Theoretical Chemistry, Annulene, Condensed Matter Physics, Biochemistry
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::f4bc60b2c82d6cf0f2b6efdeaa17205eTest
https://doi.org/10.1016/0166-1280Test(91)85098-r -
10
المؤلفون: Jenny P. Glusker, Philip George, Charles W. Bock
المصدر: Journal of Molecular Structure: THEOCHEM. 234:227-246
مصطلحات موضوعية: Valence (chemistry), Annulene, Condensed Matter Physics, Biochemistry, Tautomer, chemistry.chemical_compound, Delocalized electron, chemistry, Chemical bond, Computational chemistry, Molecular orbital, Physical and Theoretical Chemistry, Bond energy, Benzene
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::bf7645de816bd6d3de98eb5e16926dc7Test
https://doi.org/10.1016/0166-1280Test(91)89015-s