Quantum-Chemical Study of Structural and Energy Characteristics of Benzonitrile Dimers

Ab initio MP2 calculations with several basis sets proved the existence of a stable benzonitrile dimer with a planar structure and a short contact between the H atom of one molecule and the N atom of another. The structure is greatly stabilized by attraction between the neighboring oppositely directed dipoles and donor-acceptor interaction between the orbital of the lone electron pair of the N′ atom and the vacant antibonding orbital localized on the C-H bond.Original Russian Text Copyright © 2004 by O. V. Sizova, E. P. Sokolova, V. I. Baranovskii, D. A. Rozmanov, and O. A. Tomashenko__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 5, pp. 807–815, September–October, 2004.     

Microcalorimetric measurements of the metabolic activity by bacteria and fungi in some Brazilian soils amended with different organic matter

The effect of bacterial and fungal activities on organic matter degradation in Brazilian soils was studied by a microcalorimetric method. Bacteria and fungi isolated from tropical soils and added to: Rhodic eutrudox (R), Typic eutrudox (V) and Quartzipsamment (Q) soils amended separately with moisture (control) (A) and 25% of cattle manure (E), municipal refuse compost (L), earthworm casts (H) or 23 μg of trifluralin (T) were investigated. The number of colony forming units in soil suspension was quantified by microscopy and inoculated in respective soil. All processes were measured at intervals of 7 days over a period of 35 days. The exothermic thermal effect (μJ) per cm³ of bacteria or fungi per gram of dry soil, respectively, for each substrate was: [(9±1), (4±1)] RA; [(478±24), (105±5)] RE; [(121±6), (71±4)] RL; [(121±6), (71±4)] RH; [(8±1); (3±1)] RT; [(10±1), (9±1] VA; [(347±17), (261±13)] VE; [(71±4), (28±1)] VL; [(22±1), (33±2)] VH; [(7±1), (10±1)] VT; [(19±1), (12±1)] QA; [(1301±65), (46±2)] QE; [(89±4), (9±1)] QL; [(130±7), (11±1)] QH; [(32±2), (8±1)] QT. The calorimetric values are higher for bacteria than for fungi. In general, the results showed higher activities in the soil amended with cattle manure than with other additives.     

Quantum Properties of Odd Excited Negative Binomial States of the Radiation Field

The odd excited negative binomial states are introduced using the photon creation operator by repeated application on negative binomialstates. These states interpolate between the odd displaced Fock states and the odd excited pure thermal states. In this paper both squeezing phenomena (normal squeezing and amplitude squared squeezing) are discussed. Besides discussion of the Glauber second-order correlation function, investigations are carried out for the quasi-probability distribution functions (Wigner function and Q-function). Finally the Pegg-Barnett phase probability distribution is computed for these states.     

Relationships between Electrodynamic and Quantum-Mechanical Parameters in the Theory of Quantum Transitions

Relationships between the electrodynamic (wave propagation constants) and quantum-mechanical parameters (probability of induced transitions) of interaction between energy quanta and particles of the medium are derived for dipole and paramagnetic interaction types. It is demonstrated that quantum-mechanical parameters are generally complex.     

Induced Representations of Abelian Groups of Finite Rank

We prove that any irreducible faithful representation of an almost torsion-free Abelian group G of finite rank over a finitely generated field of characteristic zero is induced from an irreducible representation of a finitely generated subgroup of the group G.     

Integrability of Solutions of Nonlinear Elliptic Equations with Right-Hand Sides from Logarithmic Classes

We establish the existence of a weak solution to the Dirichlet problem belonging to a Sobolev space for nonlinear elliptic equations of second order with right-hand sides from a wide class of functions defined in terms of the logarithmic function.     

Semiempirical calculation of the fine structure of the indium ion

The fine-structure parameters of a series of configurations of the first ion of indium and the gyromagnetic ratios in intermediate coupling are calculated by a semiempirical method in the single-configuration approximation.     

Automorphisms and Derivations of Exceptional Simple Lie Algebras of Family <Emphasis Type="Italic">R</Emphasis>

In the paper we describe automorphisms and derivations of simple Lie algebras of family R. The Lie algebra of the automorphism group is found. Bibliography: 11 titles.__________Translated from Zapiski Nauchnykh Seminarov POMI, Vol. 305, 2003, pp. 165–186.