Výsledky vyhledávání - "David C. Easter"

Factors Influencing Student Prerequisite Preparation for and Subsequent Performance in College Chemistry Two: A Statistical Investigation

Autor: David C. Easter

Publikováno v: Journal of Chemical Education. 87:535-540

For students entering Chemistry Two following a Chemistry One course, an assessment exam was given and the results were evaluated in combination with other variables to develop a predictive model that forecasts student achievement in the course. Vari

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d2a88a503ece096d331c62cc54f7dd3b
https://doi.org/10.1021/ed800165t

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Computational studies of the cone and 1,2,3 alternate calix[6]arene bis-crown-4 isomers: structures, NMR shifts, atomic charges, and steric compression

Autor: Meghan N. Lawson, Michael T. Blanda, David C. Easter, Sara J. Staggs, Lauren N. Sederholm

Publikováno v: Journal of Physical Organic Chemistry. 22:1212-1224

The cone and 1,2,3 alternate isomers of calix[6]arene bis-crown-4 were investigated computationally. Structural optimizations, energies, bond distances, and Mulliken charges were calculated by the application of the B3LYP/6-31g(d) method/basis, follo

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https://doi.org/10.1002/poc.1621

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A Monte Carlo Study of Isomers and Structural Evolution in Benzene−Cyclohexane Clusters: (C6H6)(C6H12)n, n = 3−7, 12

Autor: Jessica A. Roof, David C. Easter, Laura Jeanne Butts

Publikováno v: The Journal of Physical Chemistry A. 111:12914-12931

Monte Carlo simulated annealing strategies, carried out on four different potential energy surfaces, are applied to benzene-cyclohexane clusters, BC n , n = 3-7, 12, to identify low-energy isomers and to trace the evolution of structures as a functio

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ee8e24858726fd9f421bfee7450596df
https://doi.org/10.1021/jp075214i

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Toward the Experimental Structure Determination of Larger Molecular Clusters: Application and Limitations of the Weak Interaction Model to the (C6H6)13B2u← A1g000Spectrum

Autor: David C. Easter

Publikováno v: Journal of Cluster Science. 15:33-45

The experimental B2u ← A1g00 0 spectrum of (C6H6)13 was analyzed within the weak-interaction model using minimum energy structures calculated from six different potential energy surfaces. The coexistence of two isomers—both of C3 symmetry and wit

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::891b4a011a151b8d2db1778df3fc1ffd
https://doi.org/10.1023/b:jocl.0000021251.28939.35

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Experimentally observed van der Waals modes and computed structures of benzene–cyclohexane clusters, BCn; n=1–3

Autor: David C. Easter, Kent A. Davis

Publikováno v: Chemical Physics Letters. 380:471-479

One color resonant two-photon ionization spectra have been measured for benzene–(cyclohexane) n clusters, n =1–14. Van der Waals progressions dominate the n =1–3 spectra. Minimum energy structures were calculated for these three clusters via Mo

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a7714c9acce918d54cdcbf126d5647e2
https://doi.org/10.1016/j.cplett.2003.09.058

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Identification of a New C3 Structure and Evidence for the Coexistence of Two (Benzene)13 Cluster Isomers in Free Jet Expansions: A Monte Carlo Study

Autor: David C. Easter

Publikováno v: The Journal of Physical Chemistry A. 107:7733-7742

Low-temperature Monte Carlo computations have been carried out to investigate minimum-energy structures of the (C6H6)13 cluster. The simulations have identified a new cluster structure of C3 symmet...

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https://doi.org/10.1021/jp035694n

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Low-Energy Structures of (C6H6)13as Determined by Low-Temperature Monte Carlo Simulations Using Several Potential Energy Surfaces

Autor: David C. Easter

Publikováno v: The Journal of Physical Chemistry A. 107:2148-2159

Monte Carlo computations have been carried out using six different potential energy parameter sets in order to investigate the low-energy structure(s) of (benzene) 1 3 . Improved energies were identified for three previously published structures, and

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::7717f7bca4f8f4828deb1472256939f8
https://doi.org/10.1021/jp027475s

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Evaporation and isomerization dynamics leading to the free-jet formation of isotopically labeled (benzene)13: A spectroscopic observation

Autor: James Mellott, Todd Weiss, David C. Easter

Publikováno v: The Journal of Chemical Physics. 109:8365-8373

Isotopically labeled (benzene)13 clusters, (C6H6)(C6D6)12, were generated by supersonic expansion and studied as a function of nozzle-to-laser distance by resonance-enhanced two-photon ionization (R2PI) spectroscopy through the C6H6B2u←A1g601 trans

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https://doi.org/10.1063/1.477499

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Isomerization of isotopically-labeled benzene13 during free jet expansion

Autor: David C. Easter

Publikováno v: Chemical Physics Letters. 297:165-172

Isotopically-labeled benzene13 clusters, (C6H6)(C6D6)12, were generated by supersonic expansion and studied as a function of nozzle-to-laser distance by resonance-enhanced two-photon ionization (R2PI) spectroscopy through the C6H6 B2u←A1g(601) tran

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::97216471279117d7095f1d3110c6403d
https://doi.org/10.1016/s0009-2614(98)01124-5

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