Results 241 to 250 of about 84,757 (292)

Tools for Understanding Molecular Orbital Interactions of Molecules on SurfacesDensity Functional Theory Calculations of H₂ Adsorbed on Cu(111) and Pd/Cu(111). [PDF]

Ind Eng Chem Res
Simpson SM, Mulvey DM.
europepmc   +1 more source

Turning Water Into a Tool: From Degradation Pathways to Functional Engineering in Halide Perovskites

Advanced Materials Technologies, EarlyView.
Water exhibits a threshold‐dependent dual role in lead halide perovskites, acting either as a degradation trigger or as a powerful tool for defect passivation, recrystallization, and structural engineering. This review discusses how controlled water‐mediated interactions govern stability, dimensionality, and optoelectronic performance, providing ...
Raphaella T. S. Gonçalves, Gabriela O. Gera, Aryane Tofanello, Jose A. Souza, Andre L. M. Freitas   +4 more
wiley   +1 more source

The Reactivity of Bispidine Ligand Based Iron(IV) and Iron(V) Oxido Species for the Demethylation of Acetic Acid. [PDF]

J Comput Chem
Velmurugan G, Comba P.
europepmc   +1 more source

Extrusion Bioprinting for Wound Healing: Innovations in Functionalized Bioinks and Bioprinting Technology

Advanced Materials Technologies, EarlyView.
Extrusion‐based bioprinting (EBB) has emerged as a versatile biofabrication platform capable of precisely depositing bioinks composed of biomaterials, cells, and bioactive agents to generate patient‐specific, biomimetic skin constructs. This paper presents a state‐of‐the‐art and forward‐looking overview of EBB for wound healing, encompassing printing ...
Hien‐Phuong Le, Anh Tuan Trong Tran, Ammara Waheed, Tran Thanh Tung, Dusan Losic   +4 more
wiley   +1 more source

Unraveling Cross-Ring Dissociation Mechanisms of Hexoses in Collision-Induced Dissociation. [PDF]

J Phys Chem A
Nguan HS, Lin YT, Ni CK.
europepmc   +1 more source

Polaritonic Coupled Cluster Theory for Unpolarized Cavities Exploiting Point-Group Symmetry. [PDF]

J Chem Theory Comput
Monzel L, Stopkowicz S.
europepmc   +1 more source

Origins of the selectivity of late transition metals of Group 9 and Group 10 for oxidative addition of C-H <i>vs.</i> C-Cl bonds. [PDF]

Chem Sci
Qiu Y, Sterling AJ, Ikeda KK, Zech A, Loipersberger M, Hait D, Head-Gordon M, Hartwig JF.   +7 more
europepmc   +1 more source

Nanoconfined superionic water is a molecular superionic. [PDF]

Sci Adv
Coles SW, Hajibabaei A, Kapil V, Advincula XR, Schran C, Cox SJ, Michaelides A.   +6 more
europepmc   +1 more source

The role of interfacial excess charge in the reversibility of proton and hydroxide solvation in electrocatalysis and bipolar membranes. [PDF]

Proc Natl Acad Sci U S A
Gomez Rodellar C, Druce J, Gisbert-González JM, Sarabia F, Roldan Cuenya B, Oener SZ.   +5 more
europepmc   +1 more source

In-silico identification and optimization of MMP-9 inhibitors for cerebral ischemia using structure based virtual screening, MD simulation, and binding free energy calculations. [PDF]

PLoS One
Zhang J, Zhang B, Feng H, Sheng C.
europepmc   +1 more source