Zobrazeno 1 - 10
of 17
pro vyhledávání: '"C. William Kern"'
Publikováno v:
Advances in Chemical Physics
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e63b627d551090f5dcb64926e65fbb38
https://doi.org/10.1002/9780470142561.ch6
https://doi.org/10.1002/9780470142561.ch6
Publikováno v:
ACS Symposium Series ISBN: 9780841234031
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::524bbb98e69d6ebf6679657abe48f5c1
https://doi.org/10.1021/bk-1996-0629.ch029
https://doi.org/10.1021/bk-1996-0629.ch029
Publikováno v:
Journal of Molecular Spectroscopy. 96:200-218
The spin-orbit coupling constant, A(r), as a function of internuclear distance (r) was computed for the X2Π state of OH, using the microscopic spin-orbit Hamiltonian, extended basis sets, and extensive configuration-interaction wavefunctions. Our be
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b4854435646f49637f0e993957f5ba99
https://doi.org/10.1016/0022-2852(82)90226-0
https://doi.org/10.1016/0022-2852(82)90226-0
Publikováno v:
SIGCOMM
Department of Computer Science Technical Reports
Department of Computer Science Technical Reports
CSNET is the acronym for the Computer Science Research Network, a project supported by NSF to provide advanced computer network services to the computer research community. CSNET is a "logical net" -- a high-level communication environment spanning s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c5ef4dbaa5784277fee9698377893087
https://doi.org/10.1145/1024840.1035267
https://doi.org/10.1145/1024840.1035267
Publikováno v:
The Journal of Chemical Physics. 63:4800-4807
The electron spin dipole–dipole contribution to the zero‐field splitting of benzene in its lowest triplet state (3B1u in D6h symmetry) is determined theoretically by ab initio methods. Two hexagonal conformations are considered, distinguished by
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::575184be279fbb824a06957d5708d192
https://doi.org/10.1063/1.431222
https://doi.org/10.1063/1.431222
Autor:
C. William Kern, Burton J. Krohn
Publikováno v:
The Journal of Chemical Physics. 69:5310-5313
A general expansion is derived for the transition moment between two nondegenerate vibrational states of a polyatomic molecule. This analysis is combined with ab initio surfaces for the potential energy and the dipole moment of water vapor to predict
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::867aed8684c53a14ba77ea8d2bcdeb3a
https://doi.org/10.1063/1.436557
https://doi.org/10.1063/1.436557
Autor:
C. William Kern, William N. Lipscomb
Publikováno v:
The Journal of Chemical Physics. 37:275-278
The chemical shift of the bridge proton relative to the terminal proton in diborane is discussed in several approximations based on Pople's and on Ramsey's atomic and molecular theories of magnetic shielding, respectively. The analysis, which depends
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5f601a9c1e2de1d03017e1a72a47ea69
https://doi.org/10.1063/1.1701316
https://doi.org/10.1063/1.1701316
Publikováno v:
The Journal of Chemical Physics. 37:267-274
The use of expansions of solid spherical harmonics, which are the functions (rn or r−n−1) Pnm (cosθ)(cosmφ or sinmφ), is discussed with respect to molecular integrals, and it is found that terms of the delta function type must be included in t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::870acec396e879b0c256efa2080f7637
https://doi.org/10.1063/1.1701315
https://doi.org/10.1063/1.1701315
Autor:
C. William Kern, Shigeru Nagase
Publikováno v:
Journal of the American Chemical Society. 102:4513-4515
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2cfb74b74870b3ee9708f563e94ea7ba
https://doi.org/10.1021/ja00533a034
https://doi.org/10.1021/ja00533a034
Autor:
Chin Hyung Kim, C. William Kern
Publikováno v:
The Journal of Chemical Physics. 52:1920-1922
The Schwarz inequality is used to generate variational principles for evaluating perturbation sums. By constructing two suitable kets and applying Schwarz's inequality to them, a bound results which contains an arbitrary (variational) operator. The m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::824481c5f396cdd69176cd042018ff05
https://doi.org/10.1063/1.1673233
https://doi.org/10.1063/1.1673233