Results 171 to 180 of about 93,580 (281)

Interactions of Cyclic Peptides Ribifolin and Gramicidin S with Montmorillonite Surface by Molecular Modeling. [PDF]

ACS Omega
Sousa LHN, Sainz-Díaz CI, Viseras C, Araújo RM.   +3 more
europepmc   +1 more source

Deformable dielectrics. II: Voigt's intramolecular force balance in elastic dielectrics

, 1977
Od Vol. 43, issue 1 (1991) wyd.: Polish Scientific Publishers = PWN ; Od Vol. 50, issue 4 (1998) wyd.: Agencja Reklamowo-Wydawnicza A. Grzegorczyk ; Od Vol. 53, issue 4/5 (2001) wyd: PAS. IFTR ; 1-192 pages ; 24 cm ; Od Vol. 43, issue 1 (1991) wyd.: Polish Scientific Publishers = PWN ; Od Vol.
openaire   +1 more source

Steric Hindrance and Secondary Interactions Govern Reconfiguration Between Two Complex CuI Coordination Cages

Angewandte Chemie, EarlyView.
Fine‐tuning steric and C─H···π contacts directs assembly of two CuI cages. An identical naphthylene‐based subcomponent forms a [CuI12L6]12+ pseudo‐hexagonal prism stabilized by 29–32 C─H···π contacts and 12 arene stacking pairs with 6‐methyl‐2‐formylpyridine, whereas the 3‐methyl analog imparts steric clashes, yielding a [CuI8L4]8+ open prism ...
Houyang Xu, Sudhakar Gaikwad, Tanya K. Ronson, Jonathan R. Nitschke   +3 more
wiley   +2 more sources

Unraveling Charging and Discharging Processes in Organic Radical-Based Electrodes: A Hierarchical Molecular and Quantum Mechanical Approach. [PDF]

ChemSusChem
Zens C, Shillito GE, Friebe C, Kupfer S.
europepmc   +1 more source

Supramolecular Modulation of Photoinduced Charge Transfer: Tuning Between Tunneling and Incoherent Hopping

Angewandte Chemie, EarlyView.
Molecular recognition guest binding can comprehensively modulate photoinduced charge‐transfer dynamics in the cyclophane host, including charge separation and recombination, via coherent superexchange and incoherent hopping. Unlike covalent donor–bridge–acceptor systems, this supramolecular approach avoids tedious syntheses and offers precise tuning of
Xueze Zhao, Guangcheng Wu, Chun Tang, Georgia C. Mantel, Bai‐Tong Liu, Yi‐Kang Xing, Han Han, Shuai Fang, Charlotte L. Stern, J. Fraser Stoddart, Michael R. Wasielewski, Ryan M. Young   +11 more
wiley   +2 more sources

Insights into the Electronic and Structural Properties of Cellulose and Amylose: A Comparative Force Field Study. [PDF]

J Phys Chem B
Mohammadi E, Lemkul JA.
europepmc   +1 more source

A Robust Metal‐Organic Framework With ‘Molecular Gates’ for Efficient Separation of Ethane From Ethylene

Angewandte Chemie, EarlyView.
By installing an amino‐based molecular gate at a specific site within a robust zinc‐adenine framework, temperature‐tunable inversion of C2H6/C2H4 selectivity is achieved, enabling single‐step on‐stream production of polymer‐grade ethylene. ABSTRACT Ethane‐selective sorbents can enable single‐step purification of ethylene but remain elusive to date.
Shao‐Min Wang, Liping Zhang, Yitao Li, Ziluo Fang, Xue Han, Stephen P. Thompson, Qing‐Yuan Yang, Sihai Yang   +7 more
wiley   +2 more sources

Investigating the Design of ssPalmO-Derived Lipid Nanoparticles for mRNA Delivery Applications Using Molecular Dynamics Simulations. [PDF]

ACS Omega
Barange A, Luwang MN, Meena SK.
europepmc   +1 more source

Strategies Toward Accessing Enantioenriched (Hetero)Benzo‐Fused 5‐ and 6‐ Membered Rings via Intermolecular Carbometalation

Angewandte Chemie, EarlyView.
The use of transition‐metal catalysts and design of chiral ligands have allowed chemists to access highly functionalized benzofused 5‐ and 6‐ membered rings in high yield and enantioselectivity. A common strategy used relies on an intermolecular carbometalation across alkynes and olefins, usually followed by a subsequent intramolecular carbometalation.
Clara Jans, Armaan Grewal, Xavier Abel‐Snape, Mark Lautens   +3 more
wiley   +2 more sources

Prediction and elucidation of cellulose solubility in ionic liquids under high pressure using all-atom molecular dynamics simulations. [PDF]

RSC Adv
Kikuchi K, Fujimoto K, Kaneko K, Shimizu A, Matsuyama T, Ida J.   +5 more
europepmc   +1 more source