Results 251 to 260 of about 589,709 (328)

Predicting Low-Cycle Fatigue Life Using New Energy-Based Fatigue Damage Measures. [PDF]

Materials (Basel)
Mroziński S, Piotrowski M, Egner W, Egner H.   +3 more
europepmc   +1 more source

Data-driven regression analysis of amylose using Sombor molecular descriptors. [PDF]

Sci Rep
Mufti ZS, Asim M, Shflot AS, Saeed ST, Younis J.   +4 more
europepmc   +1 more source

Accelerating SCF Orbital Optimization with S-GEK/RVO: Efficient Subspace Compression and Robust Convergence. [PDF]

J Chem Theory Comput
Fdez Galván I, Weßling D, Lindh R.
europepmc   +1 more source

Constraint Decoupled Latent Diffusion for Protein Backmapping. [PDF]

J Chem Theory Comput
Han X, Sun Y, Chen K, Ren Y, Liu K, Ye Q.   +5 more
europepmc   +1 more source

Thermodynamic limits in far-from-equilibrium molecular templating networks.

Newton
Qureshi B, Poulton JM, Ouldridge TE.
europepmc   +1 more source

Invariants of chemical graph theory on hypergraphs

Romih, Gašper Domen
openalex   +1 more source

Information-Theoretic Methods in Chemical Graph Theory

Towards an Information Theory of Complex Networks, 2011
During recent years, information theory has been used extensively in chemistry for describing chemical structures and providing good correlations between physicochemical and structural properties. In this chapter, we present a survey on information-theoretic methods which are used in chemical graph theory.
Elena V. Konstantinova
semanticscholar   +3 more sources

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Chemical Graph Theory

2013
This chapter on chemical graph theory forms part of the natural science and processes section of the ...
Estrada, Ernesto, Bonchev, Danail
semanticscholar   +3 more sources

Some New Trends in Chemical Graph Theory

Chemical Reviews, 2008
Ramón García‐Domenech, Jorge Gálvez, Jesus Vicente de Julián‐Ortiz, Lionello Pogliani   +3 more
semanticscholar   +4 more sources