162 research outputs found
Supplementary data for article: BlagojeviÄ, J. P.; ZariÄ, S. D. Stacking Interactions of Hydrogen-Bridged Rings-Stronger than the Stacking of Benzene Molecules. Chemical Communications 2015, 51 (65), 12989ā12991. https://doi.org/10.1039/c5cc04139b
Supplementary material for: [https://doi.org/10.1039/c5cc04139b]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/1747]Related to accepted version: [http://cherry.chem.bg.ac.rs/handle/123456789/3424
Covariant description of the black hole entropy in 3D gravity
We study the entropy of the black hole with torsion using the covariant form
of the partition function. The regularization of infinities appearing in the
semiclassical calculation is shown to be consistent with the grand canonical
boundary conditions. The correct value for the black hole entropy is obtained
provided the black hole manifold has two boundaries, one at infinity and one at
the horizon. However, one can construct special coordinate systems, in which
the entropy is effectively associated with only one of these boundaries.Comment: 12 pages, LaTeX, v2: new material in section IV clarifies the effects
pertaining to the use of different coordinate system
Black hole entropy in 3D gravity with torsion
The role of torsion in quantum three-dimensional gravity is investigated by
studying the partition function of the Euclidean theory in Riemann-Cartan
spacetime. The entropy of the black hole with torsion is found to differ from
the standard Bekenstein-Hawking result, but its form is in complete agreement
with the first law of black hole thermodynamics.Comment: 17 pages, RevTeX, minor revision
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Resonance-assisted hydrogen-bridged rings are often found in crystal structures in
parallel alignment; 44% of all crystal structuresfound in Cambridge structural database,
that contain this ring type, form parallel contacts. Distances betw een ring planes are
typical for stacking (3.0-4.0 Ć
) and rings are in anti orientation.
Quantum chemical calculations of th e stacking interaction energies are
performed using different methods that are in good agreement with CCSD(T)/CBS
methods, on model systems composed on dimers of molecules whose derivatives are the
most common in crystal structures. The stro ngest calculated interactions (up to -5.1
kcal/mol) are comparable with stacking interactions of saturated hydrogen-bridged rings
(-4.9 kcal/mol [1]) and stacking interactions between saturated hydrogen-bridged rings
and C6-aromatic rings (-4.4 kcal/mol [2]), as well as with hydrogen bonds between water
molecules (-4.8 kcal/mol [3]).
Results indicate that energies of stack ing interactions of resonance-assisted
hydrogen-bridged rings are not substantially different than energies of stacking
interactions between saturated hydrogen-bridged rings
Canonical approach to 2D WZNW model, non-abelian bosonization and anomalies
The gauged WZNW model has been derived as an effective action, whose Poisson
bracket algebra of the constraints is isomorphic to the commutator algebra of
operators in quantized fermionic theory. As a consequence, the hamiltonian as
well as usual lagrangian non-abelian bosonization rules have been obtained, for
the chiral currents and for the chiral densities. The expression for the
anomaly has been obtained as a function of the Schwinger term, using canonical
methods.Comment: RevTex, 23 page
Supplementary data for the article: BlagojeviÄ, J. P.; JanjiÄ, G. V.; ZariÄ, S. D. Very Strong Parallel Interactions between Two Saturated Acyclic Groups Closed with Intramolecular Hydrogen Bonds Forming Hydrogen-Bridged Rings. Crystals 2016, 6 (4). https://doi.org/10.3390/cryst6040034
Supplementary material for: [https://doi.org/10.3390/cryst6040034]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/1928
Supplementary material for the article: BlagojeviÄ, J. P.; VeljkoviÄ, D.; ZariÄ, S. D. Stacking Interactions between Hydrogen-Bridged and Aromatic Rings: Study of Crystal Structures and Quantum Chemical Calculations. CrystEngComm 2017, 19 (1), 40ā46. https://doi.org/10.1039/c6ce02045c
Supplementary material for:[https://doi.org/10.1039/c6ce02045c ]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/2380]Related to accepted version: [http://cherry.chem.bg.ac.rs/handle/123456789/3246
Supplementary material for the article: BlagojeviÄ, J. P.; VeljkoviÄ, D.; ZariÄ, S. D. Stacking Interactions between Hydrogen-Bridged and Aromatic Rings: Study of Crystal Structures and Quantum Chemical Calculations. CrystEngComm 2017, 19 (1), 40ā46. https://doi.org/10.1039/c6ce02045c
Supplementary material for:[https://doi.org/10.1039/c6ce02045c ]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/2380]Related to accepted version: [http://cherry.chem.bg.ac.rs/handle/123456789/3246
2D Induced Gravity as an Effective WZNW System
We introduced a dynamical system given by a difference of two simple SL(2,R)
WZNW actions in 2D, and defined the related gauge theory in a consistent way.
It is shown that gauge symmetry can be fixed in such a way that, after
integrating out some dynamical variables in the functional integral, one
obtains the induced gravity action.Comment: LaTeX, 16 page
Supplementary data for the article: FilipoviÄ, J. P. B.; Hall, M. B.; ZariÄ, S. D. Stacking Interactions of Resonance-Assisted Hydrogen-Bridged Rings and C6-Aromatic Rings. Phys. Chem. Chem. Phys. 2020, 22 (24), 13721ā13728. https://doi.org/10.1039/D0CP01624A
Supplementary material for: [https://doi.org/10.1039/d0cp01624a]Related to published version: [https://cherry.chem.bg.ac.rs/handle/123456789/4060
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