Results 41 to 50 of about 489,454 (164)

Reaction Environment Engineering for Selective C3+ Formation in CO2 Electroreduction: Progress and Perspectives

Angewandte Chemie, EarlyView.
This work focuses on how to improve the selectivity and activity of electrocatalytic CO2 reduction to C3+ products, by the integration of electrocatalyst and electrolyte co‐design. We summarize key C3+ formation mechanisms and provide a comprehensive reaction network through thermodynamic analysis.
Ling Chen, Damien Voiry, Yan Jiao
wiley   +2 more sources

On p-electron conjugation in the five-membered ring of fluoranthene-type benzenoid hydrocarbons [PDF]

Journal of the Serbian Chemical Society, 2009
A fluoranthene-type benzenoid hydrocarbon (FTBH) is a polycyclic conjugated system obtained by joining two ordinary benzenoid hydrocarbons so as to form a five-membered ring.
IVAN GUTMAN, JELENA ĐURĐEVIĆ
doaj  

Triangle Counting Rule: An Approach to Forecast the Magnetic Properties of Benzenoid Polycyclic Hydrocarbons. [PDF]

Journal of Physical Chemistry Letters, 2022
Open-shell benzenoid polycyclic hydrocarbons (BPHs) are promising materials for future quantum applications. However, the search for and realization of open-shell BPHs with desired properties is a challenging task due to the gigantic chemical space of ...
Yuyi Yan, Fengru Zheng, Boyu Qie, Jiayi Lu, Hao Jiang, Zhiwen Zhu, Qian Sun   +6 more
semanticscholar   +1 more source

Benzenoid isomers with greatest and smallest Kekulé structure counts [PDF]

Journal of the Serbian Chemical Society, 2006
In families of benzenoid isomers, the species with the greatest and smallest value of the Kekulé structure count (K) possess, respectively, the greatest and smallest thermodynamic stability and, respectively, the smallest and greates reactivity.
Gutman Ivan, Arsić Biljana, Denić Marija, Stojanović Ivana   +3 more
doaj   +3 more sources

Annelated perylenes: benzenoid molecules violating the Kekulé-structure-based cyclic conjugation models [PDF]

Journal of the Serbian Chemical Society, 2005
Several currently used models for assessing the extent of cyclic conjugation in benzenoid hydrocarbons, all based on Kekulé-type structural formulas, predict that there is no cyclic conjugation in the central, “empty”, ring of perylene and its annelated ...
IVAN GUTMAN, BORIS FURTULA, JELENA DJURDJEVIC, RADMILA KOVACEVIC, SONJA STANKOVIC   +4 more
doaj   +3 more sources

Non-kekulean benzenoid hydrocarbon: physico-chemical properties for benzenoid hydrocarbon using topological indices and mpolynomial [PDF]

Computational Algorithms and Numerical Dimensions
Topological indices are the numerical values that are connected to subatomic graphs in order to create the quantitative structure activity and structure attribute of a chemical compound and non-chemical graphs.
Anns Uzair, Aiman Ishtiaq, Misbah Rasheed   +2 more
doaj   +1 more source

Extremal Unicyclic Graphs for the Euler Sombor Index: Applications to Benzenoid Hydrocarbons and Drug Molecules

Axioms
With geometric significance, the Euler Sombor index of a graph Γ is defined as EP(Γ)=∑{uv}∈E(Γ)d(u)2+d(v)2+d(u)d(v). It originates from the mathematical distance property and has been proven to have good chemical applications in octane isomers.
Zhenhua Su, Zikai Tang
semanticscholar   +1 more source

Recent Advances in Metal‐Mediated Carbon‐Carbon Bond Cleavages of Benzenoid Hydrocarbons

Chinese journal of chemistry
A variety of metal coordination modes that may provide carbon‐carbon bond cleavage pathways in benzene and benzenoid hydrocarbons are summarized in a rubric. Some of these are evident in recently published work, and others represent challenges for future
Sivakumar Ragupathy, J. Gladysz
semanticscholar   +1 more source

Iterative estimation of total π-electron energy [PDF]

Journal of the Serbian Chemical Society, 2005
In this work, the lower and upper bounds for total π-electron energy (E) was studied. A method is presented, by means of which, starting with a lower bound EL and an upper bound EU for E, a sequence of auxiliary quantities E0 E1, E2,… is computed, such ...
Türker Lemi, Gutman Ivan
doaj   +1 more source

Enumeration of Benzenoid and Coronoid Hydrocarbons [PDF]

Zeitschrift für Naturforschung A, 1987
This is a report on the present status of computer-aided enumeration and classification of benzenoids and coronoids (polyhexes). The existing data from previous works are displayed in comprehensive tables. Numerous data from papers in press are included, as well as original contributions.
A.T. Balaban, J. Brunvoll, J. Cioslowski, B. N. Cyvin, S. J. Cyvin, I. Gutman, He Wenchen, He Wenjie, J.V. Knop, M. Kovačević, W. R. Müller, K. Szymanski, R. Tošić, N. Trinajstić   +13 more
openaire   +1 more source