Results 91 to 100 of about 5,423 (180)

Exploring the Efficiency of Algerian Kaolinite Clay in the Adsorption of Cr(III) from Aqueous Solutions: Experimental and Computational Insights

Molecules
The current study comprehensively investigates the adsorption behavior of chromium (Cr(III)) in wastewater using Algerian kaolinite clay. The structural and textural properties of the kaolinite clay are extensively characterized through a range of ...
Karima Rouibah, Hana Ferkous, Meniai Abdessalam-Hassan, Bencheikh Lehocine Mossab, Abir Boublia, Christel Pierlot, Amdjed Abdennouri, Ivalina Avramova, Manawwer Alam, Yacine Benguerba, Alessandro Erto   +10 more
doaj   +1 more source

Establishing Indium in Frustrated Lewis Pair Chemistry: From Synthesis to Catalytic Applications

ChemistryEurope, Volume 4, Issue 4, April 2026.
Not that hard: The effects of chemical hardness of the soft FLP tBu2InCH2PtBu2 and its pyridine‐adduct tBu2In(py)CH2PtBu2 were examined in adduct formation reactions toward H2, CO2, and CS2. The frustrated Lewis pair shows catalytic activity in the reduction of CO2 with pinacolborane.
Daniel N. Heuer, Jan‐Hendrik Lamm, Hans‐Georg Stammler, Beate Neumann, Andreas Mix, Yury V. Vishnevskiy, Norbert W. Mitzel   +6 more
wiley   +1 more source

Intramolecular N···F Pnictogen Bond Mitigates the Explosive Behavior of Azido‐L‐Phenylalanines

ChemistryEurope, Volume 4, Issue 4, April 2026.
An intramolecular N···F pnictogen bond is the key for the chemical stabilization of the fluorinated azido‐L‐phenylalanines, mitigating the risk of explosion and thus facilitating the handling and storage of these materials. Organic azides are versatile intermediates but are plagued by intrinsic instability and potential explosiveness. Here, it is shown
Andrea Pizzi, Eleonora Veronese, Nicola Demitri, Marco Saccone, Pierangelo Metrangolo, Giancarlo Terraneo   +5 more
wiley   +1 more source

Noncovalent Interactions Governing Self‐Assembly of Oligomeric Phenolic Surfactant Film Models

Journal of Physical Organic Chemistry, Volume 39, Issue 4, April 2026.
Computational modelling of gallate‐derivative trimers reveals that ester and meta hydroxy groups favour formation of π‐stacked arrangements over cyclic arrangements, through C‐H…O and meta O‐H…O interactions. The ester derivatives serve as surfactant analogues for which the linker between the headgroup and alkyl chain is shown to play a defining role ...
Janet H. Gaba, Christine E. DeWolf, Heidi M. Muchall   +2 more
wiley   +1 more source

Formation of β-cyclodextrin complexes in an anhydrous environment [PDF]

, 2016
The formation of inclusion complexes of β-cyclodextrin was studied at the melting temperature of guest compounds by differential scanning calorimetry.
Korchowiec, Jacek, Magri, Pierre, Modarressi, Ali, Rogalski, Marek, Sifaoui, Hocine, Stachowicz-Kuśnierz, Anna   +5 more
core   +2 more sources

Computationally synthesised inorganic and organometallic complexes : a thesis presented in partial fulfilment of the requirements of the degree of Doctor of Philosophy in Chemistry at Massey University, Albany, New Zealand [PDF]

, 2017
Catalytic aromatic ring C–H bond functionalisations by transition metal cyclometallation reactions are important for organic transformation reactions.
Sajjad, Muhammad Arif
core  

Bis‐Dichlorosilyl Functionalized C4‐Cumulene With Unique Bonding Scenario

Chemistry – A European Journal, Volume 32, Issue 12, 23 March 2026.
Herein, we report a silylene‐functionalized C4‐cumulene (2) and investigate its bonding scenario employing computational methods such as NBO analysis, AIM, and energy decomposition analysis‐natural orbital for chemical valence (EDA‐NOCV). The EDA‐NOCV analysis showed that compound 2 prefers to possess electron‐sharing covalent sigma and dative covalent
Saroj Kumar Kushvaha, Harsha S. Karnamkkott, Sangita Mondal, Paula A. M. Stark, Selvakumar Arumugam, Prakash Chandra Joshi, Sai Manoj N. V. T. Gorantla, Regine Herbst‐Irmer, Kartik Chandra Mondal, Dietmar Stalke, Herbert W. Roesky   +10 more
wiley   +1 more source

DFT/QTAIM analysis of favipiravir adsorption on pristine and silicon doped C20 fullerenes

Main Group Metal Chemistry, 2019
Fullerenes have received attentions due to their versatile properties. Molecular structures and electronic properties namely binding energy, band gap, electrophilicity index and molecular topological analysis were studied for undoped and silicon doped ...
Alver Özgür, Parlak Cemal, Umar Yunusa, Ramasami Ponnadurai   +3 more
doaj   +1 more source

Cooperative and anticooperative effects in resonance assisted hydrogen bonds in merged structures of malondialdehyde [PDF]

We analyzed non-additive effects in resonance assisted hydrogen bonds (RAHBs) in different b-enolones, which are archetypal compounds of these types of interactions.
Costales Castro, María Aurora, Guevara Vela, José Manuel, Martín Pendás, Ángel, Rocha Rinza, Tomás, Romero Montalvo, Eduardo   +4 more
core   +1 more source

DFT investigation of role of N – H⋯O and N – H⋯π interactions in the stabilization of the hydrogen bonded complexes of anisole with aromatic amines

Heliyon, 2019
Theoretical investigations have been performed on hydrogen (H-) bonded complexes of two aromatic amines with anisole to investigate the effect of the methyl substituent on N ̶ H⋯O and N ̶ ̶H⋯π interactions.
Anil Singh Rajpurohit, R. Rajesh, R. Raj Muhamed, M. Jaccob, A. Justin Adaikala Baskar, V. Kannappan   +5 more
doaj   +1 more source