Results 31 to 40 of about 195 (135)

Insights Into Symmetry and Substitution Patterns Governing Singlet–Triplet Energy Gap in the Chemical Space of Azaphenalenes

open access: yesChemistry – A European Journal, Volume 32, Issue 15, 22 April 2026.
ABSTRACT Molecules that violate Hund's rule by exhibiting an inverted singlet–triplet gap (STG), where the first excited singlet (S1${\rm S}_1$) lies below the triplet (T1${\rm T}_1$), are rare but hold great promise as efficient fifth‐generation light emitters.
Atreyee Majumdar   +1 more
wiley   +1 more source

Hitchhiker's Guide to the Swampland: The Cosmologist's Handbook to the String‐Theoretical Swampland Programme

open access: yesFortschritte der Physik, Volume 74, Issue 4, April 2026.
Abstract String theory has strong implications for cosmology, implying the absence of a cosmological constant, ruling out single‐field slow‐roll inflation, and that black holes decay. The origins of these statements are elucidated within the string‐theoretical swampland programme.
Kay Lehnert
wiley   +1 more source

Pfister's local-global principle for Azumaya algebras with involution [PDF]

open access: yes, 2023
We prove Pfister's local-global principle for hermitian forms over Azumaya algebras with involution over semilocal rings, and show in particular that the Witt group of nonsingular hermitian forms is $2$-primary torsion.
Astier, Vincent, Unger, Thomas
core   +1 more source

Extensions to Extended Tight‐Binding Methods for Transition‐Metal Containing Systems

open access: yesJournal of Computational Chemistry, Volume 47, Issue 7, March 15, 2026.
We present a new GFN2‐xTB implementation with a geometric direct minimization scheme and a Hubbard‐U correction. We demonstrate that the Hubbard correction improves linearity of the elctronic energy, stabilizes SCF convergence, and enables more accurate spin‐gap predictions in narrow application domains such as specific iron‐containing complexes ...
Siyavash Moradi   +3 more
wiley   +1 more source

A Generalized Primitive Element Theorem [PDF]

open access: yes, 2007
We deal with the following variant of the primitive element theorem: any commutative strongly separable extension of a commutative ring can be embedded in another one having primitive element.
Bagio, Dirceu, Paques, Antonio
core   +1 more source

Confined Chemistry in Space: Zeolite‐Supported Fe13 Nanoclusters Modulate CS Reactivity

open access: yesSmall Structures, Volume 7, Issue 3, March 2026.
The study explores how an Fe13 cluster confined in chabazite reshapes the reaction of CS and H2 under astrochemical conditions. Confinement promotes C–S bond cleavage over hydrogenation, directing chemistry toward CH4 and H2S formation. Additional CS enables CS2 and C2 species. Microkinetic analysis identifies protoplanetary environments where zeolites
Gerard Pareras, Albert Rimola
wiley   +1 more source

Direct-Sum Decompositions over Local Rings [PDF]

open access: yes, 2001
Let (R,m) be a local ring (commutative and Noetherian). If R is complete (or, more generally, Henselian), one has the Krull–Schmidt uniqueness theorem for direct sums of indecomposable finitely generated R-modules. By passing to the m-adic completion R̂,
Wiegand, Roger
core   +1 more source

SK1 of Azumaya algebras over Hensel pairs [PDF]

open access: yes, 2010
Let A be an Azumaya algebra of constant rank n2 over a Hensel pair (R, I) where R is a semilocal ring with n invertible in R. Then the reduced Whitehead group SK1(A) coincides with its reduction SK1(A/I A).
Hazrat, Roozbeh (R16959)
core   +2 more sources

Low Parsons–Zobel slope of metal–solution interfaces: A theoretical comparison of three causes

open access: yesAIChE Journal, Volume 72, Issue 2, February 2026.
Abstract Rational design of electrochemical energy conversion and storage devices hinges on a fundamental understanding of the electrical double layer (EDL) at the electrode–electrolyte interface. The classical Gouy–Chapman–Stern model of EDL predicts a unity Parsons–Zobel (PZ) slope, which is derived from the relation between inverse measured ...
Weiqiang Tang   +3 more
wiley   +1 more source

On sums of squares in local rings

open access: yes, 2001
. Let A be a semilocal ring. We compare the set of positive semidefinite (psd) elements of A and the set of sums of squares in A. For psd f ∈ A, whether f is a sum of squares or not depends only on the behavior of f in an infinitesimal neighborhood of ...
Claus Scheiderer
core  

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