Search Results - "Schinke, R"

Photodissociation of N2O: potential energy surfaces and absorption spectrum by Schinke, R

“…The ultraviolet photodissociation of N(2)O is studied by wave packet calculations using global three-dimensional potential energy surfaces for the two lowest…”
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Recent advances in vulnerability assessment for the built environment exposed to torrential hazards: Challenges and the way forward by Fuchs, S., Keiler, M., Ortlepp, R., Schinke, R., Papathoma-Köhle, M.

“…•Vulnerability assessment for buildings resulted in a plethora of methods.•We present recent advances in quantitative vulnerability functions.•Multiple…”
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New theoretical investigations of the photodissociation of ozone in the Hartley, Huggins, Chappuis, and Wulf bands by Grebenshchikov, S Yu, Qu, Z-W, Zhu, H, Schinke, R

“…We review recent theoretical studies of the photodissociation of ozone in the wavelength region from 200 nm to 1100 nm comprising four major absorption bands:…”
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Isotope effects in N2O photolysis from first principles by Schmidt, J A, Johnson, M S, Schinke, R

“…For the first time, accurate first principles potential energy surfaces allow N2 O cross sections and isotopic fractionation spectra to be derived that are in…”
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Ultraviolet photodissociation of OCS: product energy and angular distributions by McBane, G C, Schmidt, J A, Johnson, M S, Schinke, R

“…The ultraviolet photodissociation of carbonyl sulfide (OCS) was studied using three-dimensional potential energy surfaces and both quantum mechanical dynamics…”
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Photodissociation of N2O: energy partitioning by Schmidt, J A, Johnson, M S, Lorenz, U, McBane, G C, Schinke, R

“…The energy partitioning in the UV photodissociation of N(2)O is investigated by means of quantum mechanical wave packet and classical trajectory calculations…”
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Photodissociation of N2O: triplet states and triplet channel by Schinke, R, Schmidt, J A, Johnson, M S

“…The role of triplet states in the UV photodissociation of N(2)O is investigated by means of quantum mechanical wave packet calculations. Global potential…”
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OCS photolytic isotope effects from first principles: sulfur and carbon isotopes, temperature dependence and implications for the stratosphere by Schmidt, J. A, Johnson, M. S, Hattori, S, Yoshida, N, Nanbu, S, Schinke, R

“…The isotopic fractionation in OCS photolysis is studied theoretically from first principles. UV absorption cross sections for OCS, OC33S, OC34S, OC36S and…”
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Dynamical studies of the ozone isotope effect: A status report by Schinke, R, Grebenshchikov, S Yu, Ivanov, M V, Fleurat-Lessard, P

“…Dynamical studies of the recombination of O and O2 to form ozone are reviewed. The focus is the intriguing isotope dependence of the recombination rate…”
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Damage estimation of subterranean building constructions due to groundwater inundation – the GIS-based model approach GRUWAD by Schinke, R, Neubert, M, Hennersdorf, J, Stodolny, U, Sommer, T, Naumann, T

“…The analysis and management of flood risk commonly focuses on surface water floods, because these types are often associated with high economic losses due to…”
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Vibrational energy transfer in Ar-O3 collisions: comparison of rotational sudden, breathing sphere, and classical calculations by Ivanov, M.V., Schinke, R.

“…The state-specific vibrational energy transfer, ΔE n , in collisions of excited ozone molecules with argon atoms is investigated by means of the quantum…”
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The photodissociation of NO2 in the second absorption band: Ab initio and quantum dynamics calculations by Schinke, R., Grebenshchikov, S.Yu, Zhu, H.

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Exploring Renner-Teller induced quenching in the reaction H(2S)+NH(a 1Delta): a combined experimental and theoretical study by Adam, L, Hack, W, McBane, G C, Zhu, H, Qu, Z-W, Schinke, R

“…Experimental rate coefficients for the removal of NH(a (1)Delta) and ND(a (1)Delta) in collisions with H and D atoms are presented; all four isotope…”
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Highly Excited Motion in Molecules:  Saddle-Node Bifurcations and Their Fingerprints in Vibrational Spectra by Joyeux, M, Farantos, S. C, Schinke, R

“…The vibrational motion of highly excited molecules is discussed in terms of exact quantum and classical mechanics calculations, employing global potential…”
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Quantum origin of an anomalous isotope effect in ozone formation by Babikov, D., Kendrick, B.K., Walker, R.B., Schinke, R., Pack, R.T

“…Accurate quantum mechanical calculations of the (J=0) energies and lifetimes of the metastable states of ozone on a new, accurate potential energy surface are…”
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The photodissociation of ozone in the Hartley band: a theoretical analysis by Qu, Z-W, Zhu, H, Grebenshchikov, S Yu, Schinke, R

“…Three-dimensional diabatic potential energy surfaces for the lowest four electronic states of ozone with 1A' symmetry-termed X, A, B, and R-are constructed…”
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Relaxation of NH(a 1Δ, v = 1) in Collisions with H(2S): An Experimental and Theoretical Study by Defazio, P, Petrongolo, C, McBane, G. C, Adam, L, Hack, W, Akpinar, S, Schinke, R

“…Collisions of electronically and vibrationally excited NH(a 1Δ, v = 1) with H atoms were investigated by experimental, quantum mechanical (QM) wavepacket, and…”
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Perceived Psychosocial Benefits Associated with Perceived Restorative Potential of Wilderness River-Rafting Trips by Garg, R., Couture, R. T., Ogryzlo, T., Schinke, R.

“…Analysis of the restorative experiences and psychosocial benefits of wilderness river rafting trips of varying difficulty with 186 Canadian participants of…”
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HCP<=>CPH isomerization: caught in the act by Ishikawa, H, Field, R W, Farantos, S C, Joyeux, M, Koput, J, Beck, C, Schinke, R

“…In this overview we discuss the vibrational spectrum of phosphaethyne, HCP, in its electronic ground state, as revealed by complementary experimental and…”
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Photodissociation of N2O: Temperature dependence by Schinke, R.

“…Absorption cross section of nitrous oxide as function of different initial vibrational states. [Display omitted] ►Investigation of temperature dependence of…”
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