scholarly journals Isomerism in secondary bonded complexes: Do structural rules apply?

2021 ◽  
Author(s):  
M. Esmail Alikhani ◽  
Bernard Silvi
Keyword(s):  
Structural Rules ◽  
Bonded Complexes

Proof Theory of the Cut Rule

2018 ◽  
Author(s):  
J. R. B. Cockett ◽  
R. A. G. Seely
Keyword(s):  
Proof Theory ◽  
Graphical Representation ◽  
Basic Component ◽  
Graphical Representations ◽  
Mathematical Language ◽  
Basic Logic ◽  
Cut Rule ◽  
Structural Rules ◽  
The One ◽  
Categorical Semantics

This chapter describes the categorical proof theory of the cut rule, a very basic component of any sequent-style presentation of a logic, assuming a minimum of structural rules and connectives, in fact, starting with none. It is shown how logical features can be added to this basic logic in a modular fashion, at each stage showing the appropriate corresponding categorical semantics of the proof theory, starting with multicategories, and moving to linearly distributive categories and *-autonomous categories. A key tool is the use of graphical representations of proofs (“proof circuits”) to represent formal derivations in these logics. This is a powerful symbolism, which on the one hand is a formal mathematical language, but crucially, at the same time, has an intuitive graphical representation.

scholarly journals Relativistic Effects on NMR Parameters of Halogen-Bonded Complexes

Molecules ◽  
2019 ◽  
Vol 24 (23) ◽  
pp. 4399 ◽  
Author(s):  
Ibon Alkorta ◽  
José Elguero ◽  
Manuel Yáñez ◽  
Otilia Mó ◽  
M. Merced Montero-Campillo
Keyword(s):  
Relativistic Effects ◽  
Lewis Base ◽  
Coupling Constants ◽  
Basic Site ◽  
Lewis Bases ◽  
Nmr Parameters ◽  
Quadrupolar Coupling ◽  
Binary Complexes ◽  
Computational Level ◽  
Bonded Complexes

Relativistic effects are found to be important for the estimation of NMR parameters in halogen-bonded complexes, mainly when they involve the heavier elements, iodine and astatine. A detailed study of 60 binary complexes formed between dihalogen molecules (XY with X, Y = F, Cl, Br, I and At) and four Lewis bases (NH3, H2O, PH3 and SH2) was carried out at the MP2/aug-cc-pVTZ/aug-cc-pVTZ-PP computational level to show the extent of these effects. The NMR parameters (shielding and nuclear quadrupolar coupling constants) were computed using the relativistic Hamiltonian ZORA and compared to the values obtained with a non-relativistic Hamiltonian. The results show a mixture of the importance of the relativistic corrections as both the size of the halogen atom and the proximity of this atom to the basic site of the Lewis base increase.

Formation of Two Isomeric closo-[(5-C5H5)FePC2B8H10] Phosphadicarbaborane Analogues of Ferrocene via Isolable 1-Bonded Complexes of the [7-{(5-C5H5)Fe(CO)2}-(1-nido-PC2B8H10)] Type

2003 ◽  
Vol 9 (10) ◽  
pp. 2239-2244 ◽  
Author(s):  
Bohumil Štíbr ◽  
Josef Holub ◽  
Mario Bakardjiev ◽  
Ivan Pavlík ◽  
Oleg L. Tok ◽  
...  
Keyword(s):  
Bonded Complexes

Theoretical study of hydrogen bonding interactions in substituted nitroxide radicals

2021 ◽  
Author(s):  
Thufail M. Ismail ◽  
Neetha Mohan ◽  
P. K. Sajith
Keyword(s):  
Hydrogen Bonding ◽  
Interaction Energy ◽  
Electrostatic Potential ◽  
Molecular Electrostatic Potential ◽  
Theoretical Study ◽  
Nitroxide Radicals ◽  
Hydrogen Bonding Interactions ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Interaction energy (Eint) of hydrogen bonded complexes of nitroxide radicals can be assessed in terms of the deepest minimum of molecular electrostatic potential (Vmin).

scholarly journals On the correspondence between nested calculi and semantic systems for intuitionistic logics

2020 ◽  
Author(s):  
Tim Lyon
Keyword(s):  
Intuitionistic Logic ◽  
Structural Rules ◽  
First Order ◽  
Constant Domains ◽  
The Relationship ◽  
Intuitionistic Logics

Abstract This paper studies the relationship between labelled and nested calculi for propositional intuitionistic logic, first-order intuitionistic logic with non-constant domains and first-order intuitionistic logic with constant domains. It is shown that Fitting’s nested calculi naturally arise from their corresponding labelled calculi—for each of the aforementioned logics—via the elimination of structural rules in labelled derivations. The translational correspondence between the two types of systems is leveraged to show that the nested calculi inherit proof-theoretic properties from their associated labelled calculi, such as completeness, invertibility of rules and cut admissibility. Since labelled calculi are easily obtained via a logic’s semantics, the method presented in this paper can be seen as one whereby refined versions of labelled calculi (containing nested calculi as fragments) with favourable properties are derived directly from a logic’s semantics.

Nature and Strength of the π‐Hole Chalcogen Bonded Complexes between Substituted Pyridines and SO 3 Molecule

2021 ◽  
Vol 6 (29) ◽  
pp. 7514-7524
Author(s):  
Sumitra Bhattarai ◽  
Dipankar Sutradhar ◽  
Therese Zeegers‐ Huyskens ◽  
Asit K. Chandra
Keyword(s):  
Substituted Pyridines ◽  
Bonded Complexes

Hydrogen‐Bonded Complexes of Star Polymers

2021 ◽  
pp. 2100097
Author(s):  
Aliaksei Aliakseyeu ◽  
Elena E. Dormidontova ◽  
Svetlana A. Sukhishvili
Keyword(s):  
Star Polymers ◽  
Bonded Complexes ◽  
Hydrogen Bonded
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