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Displaying 401 - 422 of 422

Quantum Monte Carlo for Difficult Systems

February 1, 2001
Author(s)
J A. Harkless, W A. Lester, Jr.
… The atomization energy determined by these methods is 378.89 kJ/mol (RHF), 1227.1 kJ/mol (MP2), 1159.1 kJ/mol, (B3LYP), … compares favorably with an experimental value of 1309.6(4.2) kJ/mol. The transition energy of the nitrogen atom … excited state is estimated in several methods: B3LYP, 263.6 kJ/mol; PMP2, 307.5 kJ/mol; CCSD, 272.4 kJ/mol; CCSD(T), …

Wind-Driven Fire Spread to a Structure from Landscape Timbers

April 16, 2025
Author(s)
Erik Johnsson, Kathryn Butler, Marco Fernandez, Wei Tang, Shonali Nazare, Philip Deardorff, Sebastian Arana, Alexander Maranghides
… A wind machine provided a mean wind speed of nominally 6 m/s (13 mi/h) for most experiments. Timbers were ignited by … at the end farthest from a small structure located 1.83 m (6 ft) downwind of the trailing end of the timber. For most …

Global Burning Properties of Little Bluestem, Excelsior and Douglas Fir

April 15, 2025
Author(s)
Kunhyuk Sung, Eric Mueller, Matthew Bundy, Marco Fernandez, Anthony Hamins
A series of experiments were conducted to better understand the burning characteristics of three types of vegetative fuels: Little Bluestem grass, Douglas fir trees, and Excelsior. The measurements included the transient heat release rate (HRR) determined

Comparison of the Coordination of B 12 F 12 ^2-^, B 12 Cl 12 2- , and B 12 H 12 ^2-^ to Na + in the Solid State: Crystal Structures and Thermal Behavior of Na 2 (B 12

April 6, 2017
Author(s)
Eric V. Bukovsky, Dmitry V. Peryshkov, Hui Wu, Wei Zhou, Wan Si NMN Tang, W. Matthew Jones, Vitalie Stavila, Terrence J. Udovic, Steven H. Strauss
… Na 2 (B 12 Cl 12 ) (5 K and 295 K NPD), and Na 2 (H 2 O) 6 (B 12 Cl 12 ) (100 K SC-XRD) are reported. The compound Na … 2 O) 2 )] 2+ }∞ infinite chains; the compound Na 2 (H 2 O) 6 (B 12 Cl 12 ) contains discrete [(H 2 O) 2 Na(υ-H 2 O) 2 … the four Na–O bond valence contributions are 71, 75, and 89% of the total bond valences for the X = F, Cl, and H …

A Study of the predissociation of NaK molecules in the (6 1sigma+) state by optical-optical double resonance spectroscopy

July 6, 1997
Author(s)
Zeina J. Kubarych, J Huennekens
… predissociating electronic state, which we identify as 6/sup 1/ Sigma /sup +/. The predissociation is monitored by … Ti- sapphire laser, different rovibrational levels of the 6/sup 1/ Sigma /sup +/ state can be excited. The vibrational … energies: T/sub e/=25560.373 cm/sup -1/, omega /sub e/=89.17926 cm/sup -1/, omega /sub e/x/sub e/=0.730691 cm/sup …
Displaying 401 - 422 of 422
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