Výsledky vyhledávání - "J. W. McIver"

Akademický článek

Autor: M. Nuske, L. Broers, B. Schulte, G. Jotzu, S. A. Sato, A. Cavalleri, A. Rubio, J. W. McIver, L. Mathey

Publikováno v: Physical Review Research, Vol 2, Iss 4, p 043408 (2020)

We demonstrate how the properties of light-induced electronic Floquet states in solids impact natural physical observables, such as transport properties, by capturing the environmental influence on the electrons. We include the environment as dissipa

Externí odkaz: https://doaj.org/article/0e05be69f3604d849647a0733491ae8c

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Approximate self-consistent molecular orbital theory of nuclear spin coupling. II. Fermi contact contributions to coupling between carbon and directly bonded atoms

Autor: N. S. Ostlund, John A. Pople, Gary E. Maciel, J. W. McIver

Publikováno v: Journal of the American Chemical Society. 92:11-18

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f3c3e813b058d40252f33159af78ee37
https://doi.org/10.1021/ja00704a002

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Approximate self-consistent molecular orbital theory of nuclear spin coupling. IV. Vicinal proton-proton coupling constants in substituted ethanes and ethylenes and related compounds

Autor: Gary E. Maciel, N. S. Ostlund, J. W. McIver, John A. Pople

Publikováno v: Journal of the American Chemical Society. 92:4497-4506

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::005af005c830708f1c4f1ce44bd55d13
https://doi.org/10.1021/ja00718a001

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Self‐Consistent Perturbation Theory. I. Finite Perturbation Methods

Autor: J. W. McIver, N. S. Ostlund, John A. Pople

Publikováno v: The Journal of Chemical Physics. 49:2960-2964

A general method is proposed for quantum‐mechanical study of physical properties of molecules involving polarization or distortion of the electronic structure. This consists of the calculation of self‐consistent molecular orbital wavefunctions (s

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::64b97c407c9e6f4ad9d4f0675fd9cd19
https://doi.org/10.1063/1.1670536

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Approximate self-consistent molecular orbital theory of nuclear spin coupling. I. Directly bonded carbon-hydrogen coupling constants

Autor: N. S. Ostlund, J. W. McIver, Gary E. Maciel, John A. Pople

Publikováno v: Journal of the American Chemical Society. 92:1-11

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::cac2ae62e665b871a3c226cf23fb38bc
https://doi.org/10.1021/ja00704a001

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Approximate self-consistent molecular orbital theory of nuclear spin coupling. III. Geminal proton-proton coupling constants

Autor: Gary E. Maciel, N. S. Ostlund, J. W. McIver, John A. Pople

Publikováno v: Journal of the American Chemical Society. 92:4151-4157

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::701a5e418228a8bda562613c6d94e9e2
https://doi.org/10.1021/ja00717a001

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Self‐Consistent Perturbation Theory. II. Nuclear‐Spin Coupling Constants

Autor: John A. Pople, J. W. McIver, N. S. Ostlund

Publikováno v: The Journal of Chemical Physics. 49:2965-2970

The finite pertubation method developed in the first paper of this series is applied to isotropic nuclear‐spin coupling constants, assuming that only a Fermi contact mechanism couples the electron and nuclear spins. Results for some simple systems

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::59b29df509a1ff33d3951048d93fecc6
https://doi.org/10.1063/1.1670537

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