نتایج جستجو برای: σg

تعداد نتایج: 195  

Journal: :The Journal of chemical physics 2013
Dongwen Zhang Bo-Zhen Chen Ming-Bao Huang Qingyong Meng Zhiyuan Tian

Employing the multi-state multiconfiguration second-order perturbation theory (MS-CASPT2) and complete active space self-consistent field (CASSCF) methods, the geometries, relative energies (T(v)') to the ground state (X(3)Σg(-)), adiabatic excited energies, and photodissociation mechanisms and corresponding kinetic energy releases for the lower-lying 14 electronic states of the CO2 (2+) ion ar...

2016
Alexander J. Meeske Christopher D. A. Rodrigues Jacqueline Brady Hoong Chuin Lim Thomas G. Bernhardt David Z. Rudner Daniel B. Kearns

The differentiation of the bacterium Bacillus subtilis into a dormant spore is among the most well-characterized developmental pathways in biology. Classical genetic screens performed over the past half century identified scores of factors involved in every step of this morphological process. More recently, transcriptional profiling uncovered additional sporulation-induced genes required for su...

2016
James R. Laing Daniel A. Jaffe Jonathan R. Hee

The summer of 2015 was an extreme forest fire year in the Pacific Northwest. Our sample site at the Mt. Bachelor Observatory (MBO, 2.7 km a.s.l.) in central Oregon observed biomass burning (BB) events more than 50 % of the time during August. In this paper we characterize the aerosol physical and optical properties of 19 aged BB events during August 2015. Six of the 19 events were influenced by...

2006
Alejandro Aguilar Geoffrey K. James Herve Abgrall Evelyne Roueff Joseph M. Ajello

H2 is the most abundant molecule in the universe and is an active component of star formation. Inside dense molecular clouds, heating and ionization occur by cosmic rays, X-rays and shock waves, generating energetic electrons. Collisional excitation by electrons is the source of both UV and Visible-optical-IR (VOIR) H2 fluorescence in the ISM, circumstellar disks and certain classes of stars [1...

2009
P. J. Connolly O. Möhler P. R. Field

We present results of experiments at the aerosol interactions and dynamics in the atmosphere (AIDA) chamber facility looking at the freezing of water by three different types of mineral particles at temperatures between −12C and−33C. The three different dusts are Asia Dust-1 (AD1), Sahara Dust-2 (SD2) and Arizona test Dust (ATD). The dust samples used had particle concentrations of sizes that w...

1995
N. K. Meyer J. Duplissy M. Gysel A. Metzger J. Dommen E. Weingartner M. R. Alfarra A. S. H. Prevot Z. D. Ristovski

The volatile and hygroscopic properties of ammonium sulphate seeded and unseeded secondary organic aerosol (SOA) derived from the photo-oxidation of atmospherically relevant concentrations of α-pinene were studied. The seed particles were electrospray generated ammonium sulphate ((NH4)2SO4) having diameters of approximately 33 nm with a quasi-mono-disperse size distribution (geometric standard ...

Journal: :Journal of the American Chemical Society 2007
Hua-Jin Zhai Si-Dian Li Lai-Sheng Wang

BOis isoelectronic with CN-.1 However, in comparison to CN-, which is an important ligand in inorganic and biomolecules, the chemistry of BOis relatively unknown. The electron affinity (EA) of BO (2.51 eV)2,3 is much smaller than that of CN (3.86 eV),4 which may explain the fact that CNis a stable anion in solution, but BOis not. However, the electronic structure and bond strength of BOare simi...

Journal: :Journal of chemical theory and computation 2014
Luke B Roskop Liguo Kong Edward F Valeev Mark S Gordon Theresa L Windus

The performance of the [2]S and [2]R12 universal perturbative corrections that account for oneand many-body basis set errors of singleand multiconfiguration electronic structure methods is assessed. A new formulation of the [2]R12 methods is used in which only strongly occupied orbitals are correlated, making the approach more amenable for larger computations. Three model problems are considere...

1999
Munshi G. Mustafa Andreas Schäfer Markus H. Thoma

We evaluate the quark-photon vertex non-perturbatively taking into account the gluon condensate at finite temperature. This vertex is related to the previously derived effective quark propagator by a QED like Ward-Takahashi identity. The importance of the effective vertex for the dilepton production rate from a quark-gluon plasma is stressed. PACS numbers: 12.38.Lg Typeset using REVTEX Supporte...

2001
Indubala I. Satija

Disordered systems exhibiting exponential localization are mapped to anisotropic spin chains with localization length being related to the anisotropy of the spin model. This relates localization phenomenon in fermions to the rotational symmetry breaking in the critical spin chains. One of the intriguing consequence is that the statement of Onsager universality in spin chains implies universalit...

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