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1
المؤلفون: David M. Hirst, Stuart R. Mackenzie, Richard J. Doyle
المصدر: Phys. Chem. Chem. Phys.. 6:5463-5468
مصطلحات موضوعية: Chemistry, Van der Waals molecule, Ab initio, Van der Waals strain, General Physics and Astronomy, symbols.namesake, Ab initio quantum chemistry methods, Potential energy surface, symbols, Physical and Theoretical Chemistry, Atomic physics, van der Waals force, Laser-induced fluorescence, Basis set
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::4e21ec7f2ee94190e60f4deff4c7b3c4Test
https://doi.org/10.1039/b411989dTest -
2
المؤلفون: Luminita C. Jitariu, David M. Hirst
المصدر: Physical Chemistry Chemical Physics. 2:847-852
مصطلحات موضوعية: Ab initio quantum chemistry methods, Chemistry, Yield (chemistry), General Physics and Astronomy, Thermodynamics, Physical chemistry, Molecule, Density functional theory, Reaction intermediate, Electronic structure, Physical and Theoretical Chemistry, Chemical equilibrium, Transition state
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::d9aff9cf70b646e1f32c08fce37d5408Test
https://doi.org/10.1039/a906864cTest -
3
المؤلفون: Luminita C. Jitariu, David M. Hirst
المصدر: Physical Chemistry Chemical Physics. 1:983-987
مصطلحات موضوعية: Standard enthalpy of reaction, Chemistry, Potential energy surface, Enthalpy, General Physics and Astronomy, Physical chemistry, Singlet state, Physical and Theoretical Chemistry, Bond-dissociation energy, Potential energy, Transition state, Adduct
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::496ecd2315e8bb27a8c839cad839c2caTest
https://doi.org/10.1039/a808439dTest -
4
المؤلفون: Luminita C. Jitariu, David M. Hirst
المصدر: Journal of the Chemical Society, Faraday Transactions. 94:1379-1384
مصطلحات موضوعية: Exothermic reaction, Chemistry, Potential energy surface, Singlet state, Activation energy, Hydrogen atom, Physical and Theoretical Chemistry, Photochemistry, Transition state, Basis set, Adduct
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::5613e7c8fd843178bd98d0786fb3ddd4Test
https://doi.org/10.1039/a801140kTest -
5
المؤلفون: David M. Hirst, Craig Wilson
المصدر: Journal of the Chemical Society, Faraday Transactions. 93:2831-2837
مصطلحات موضوعية: Hydrogen, chemistry, Computational chemistry, Binding energy, Chlorine atom, Ab initio, Physical chemistry, chemistry.chemical_element, Physical and Theoretical Chemistry, Hydrogen atom abstraction, Transition state, Adduct
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::b565d8966771b67d7070859cb0a6a47eTest
https://doi.org/10.1039/a701664fTest -
6
المؤلفون: David M. Hirst, Craig Wilson
المصدر: Journal of the Chemical Society, Faraday Transactions. 91:793
مصطلحات موضوعية: Exothermic reaction, Activation barrier, Computational chemistry, Chemistry, Radical, Ab initio, Physical and Theoretical Chemistry, Photochemistry, Endothermic process, Adduct
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::3cc47e89df179fb4a0a1fe5a558c5ce4Test
https://doi.org/10.1039/ft9959100793Test -
7
المؤلفون: David Buttar, David M. Hirst
المصدر: Journal of the Chemical Society, Faraday Transactions. 90:1811
مصطلحات موضوعية: Reaction mechanism, Electronic correlation, Chemistry, Computational chemistry, Physics::Atomic and Molecular Clusters, Ab initio, Physical chemistry, Molecular orbital theory, Singlet state, Physical and Theoretical Chemistry, Perturbation theory, Quantum chemistry, Gas phase
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::220d5c64cf64bf5af41d86a17c4250c5Test
https://doi.org/10.1039/ft9949001811Test -
8
المؤلفون: David M. Hirst, David I. Hall, Peter J. Sarre, Pavel Rosmus, Cornelia Bauer
المصدر: Journal of the Chemical Society, Faraday Transactions. 90:517
مصطلحات موضوعية: Variational method, Chemistry, Ab initio, Wavenumber, Rotational spectroscopy, Physics::Chemical Physics, Physical and Theoretical Chemistry, Atomic physics, Perturbation theory, Configuration interaction, Potential energy, Ion
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::dfc7b93158595ecd1b53879919eaacb5Test
https://doi.org/10.1039/ft9949000517Test -
9
المؤلفون: Craig Wilson, David M. Hirst
المصدر: Journal of the Chemical Society, Faraday Transactions. 90:3051
مصطلحات موضوعية: Ab initio quantum chemistry methods, Computational chemistry, Chemistry, Radical, Ab initio, Physical chemistry, Molecular orbital, Physical and Theoretical Chemistry, Arrhenius plot, Adduct
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::4ddc1918120756a4e13ce50368d1ab45Test
https://doi.org/10.1039/ft9949003051Test -
10
المؤلفون: Eugenia Lagadianou, Manjula Patel, David M. Hirst, I. David Brown, Peter Herzig, H. Donald Brooke Jenkins
المصدر: J. Chem. Soc., Faraday Trans. 2. 81:1607-1626
مصطلحات موضوعية: chemistry.chemical_classification, Ionic model, Lattice energy, Chemistry, Electric potential energy, Lattice (order), Energetics, Physical chemistry, Total energy, Potential energy, Inorganic compound
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::1670d5792eb3be80db7638e153944188Test
https://doi.org/10.1039/f29858101607Test