Zobrazeno 1 - 10
of 13
pro vyhledávání: '"Paul J. Krause"'
Autor:
Paul J. Krause, Vivek Bokinala
Publikováno v:
Internet of Things. 22:100738
Autor:
David C. Clary, Paul J. Krause
We present a theoretical study of the vibrational predissociation of the Van der Waals complex HeBr 2 , using a time-dependent quantum mechanical approach with a symplectic integrator propagator, for total angular momentum J = 0. This method gives no
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1649b1adb1dacd04fe88e6e389acf2ca
https://doi.org/10.1016/s0009-2614(97)00421-1
https://doi.org/10.1016/s0009-2614(97)00421-1
Autor:
Marsha I. Lester, Michael W. Todd, David C. Clary, David T. Anderson, Rebecca L. Schwartz, Paul J. Krause
Time-resolved experiments and calculations are reported for the predissociation dynamics of the metastable vOH=2 vibrational state of H2–OH and D2–OH in their ground electronic states. Good agreement between theory and experiment is found for the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e7ab0949032d3567e2bae4a28b92caf5
https://doi.org/10.1016/s0009-2614(98)00869-0
https://doi.org/10.1016/s0009-2614(98)00869-0
Autor:
Paul J. Krause, Michael W. Todd, Martyn D. Wheeler, Marsha I. Lester, David C. Clary, David T. Anderson
Publikováno v:
Molecular Physics. 97:151-158
The predissociation dynamics of ortho-H2—OH in its ground electronic state are studied in time-resolved experiments and quantum mechanical calculations. The experiments use stimulated Raman and infrared overtone pumping to excite the νH2 = 1 or ν
Autor:
David C. Clary, Paul J. Krause
Publikováno v:
Molecular Physics. 93:619-625
The vibrational predissociation of D2HF and H2HF is calculated using a time-dependent method. The calculations use an improved potential energy surface obtained from a fit of new ab initio points to a spherical harmonic expansion. The vibrational pre
Autor:
N. Pappas, Mukesh Patel, Paul J. Krause, John Fox, Christian A. G. Tonnelier, Philip N. Judson
Publikováno v:
Journal of Chemical Information and Computer Sciences. 37:117-123
As part of the StAR project, for the design of a computer system to support risk assessment, it has been necessary to develop a graphical language for the representation of generic structures. These structures are used by rule writers to describe tox
Autor:
Dominic A. Clark, Paul J. Krause
Publikováno v:
Intelligent Tutoring Media. 5:20-25
Autor:
Paul J. Krause, Andrzej J. Glowinski
Publikováno v:
Applied Artificial Intelligence. 7:237-256
The techniques of formal specification and refinement of specifications into implementations are beginning to have an impact on the development of computer software. The ideal of software engineering is that programs may be proved correct with respec
Autor:
N. Pappas, Paul J. Krause, John Fox, Christian A. G. Tonnelier, Mukesh Patel, Philip N. Judson
Publikováno v:
ChemInform. 28
As part of the StAR project, for the design of a computer system to support risk assessment, it has been necessary to develop a graphical language for the representation of generic structures. These structures are used by rule writers to describe tox
Publikováno v:
Applications of Uncertainty Formalisms ISBN: 9783540653127
Applications of Uncertainty Formalisms
Applications of Uncertainty Formalisms
Classically, risk is characterised by a point value probability indicating the likelihood of occurrence of an adverse effect. However, there are domains where the attainability of objective numerical risk characterisations is increasingly being quest
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3feb2f27a9a67abd5d99d42b66ba40ff
https://doi.org/10.1007/3-540-49426-x_7
https://doi.org/10.1007/3-540-49426-x_7