Results 81 to 90 of about 10,144 (163)

Computational exploration of hydrogen storage potential in Mg₂LiXH₆ (X = Ti, V) hydrides <i>via</i> DFT and AIMD simulations. [PDF]

RSC Adv
Iqbal MMA, Kaleem M, Nasir A, Khan AN, Abaidullah M.   +4 more
europepmc   +1 more source

General workflow for localizing hydrides in metal nanoclusters by combining stochastic surface walking with neural-network potentials. [PDF]

Nat Commun
Wang Z, Fang C, Zhang L, Zhu W, Ding Y, Ma S, Sun X.   +6 more
europepmc   +1 more source

A unified descriptor framework for hydrogen storage capacity and equilibrium pressure in interstitial hydrides. [PDF]

Chem Sci
Jang SH, Zhang D, Jia X, Tran HB, Zhang L, Sato R, Hashimoto Y, Ohashi Y, Sato T, Konno K, Orimo SI, Li H.   +11 more
europepmc   +1 more source

Acceleration of CO₂ insertion into metal hydrides: ligand, Lewis acid, and solvent effects on reaction kinetics. [PDF]

Chem Sci, 2018
Heimann JE, Bernskoetter WH, Hazari N, Mayer JM.   +3 more
europepmc   +1 more source

Decoding the hydrogen storage and functional properties of MgBH₃ (B = Mo and In) <i>via</i> first-principles simulations. [PDF]

RSC Adv
Parves MS, Mia MH, Alsalmi O, Hasan MZ.
europepmc   +1 more source

Accessing Long-Lived, Highly Stable Phosphine-Ligand-Free Palladium Hydrides via Palladium-Micelle Synergy. [PDF]

J Am Chem Soc
Kaur K, Ansari TN, Choudhary RH, Bihani M, Nachtegaal M, Clark AH, Jasinski JB, Gallou F, Handa S.   +8 more
europepmc   +1 more source

Design of a 60.8 K superconducting hydride LiMgZr₂H₁₂ at ambient pressure <i>via</i> lithium substitutional doping. [PDF]

RSC Adv
Wei Q, Wang X, Luo J, Zhang M, Wei B.
europepmc   +1 more source

Hydrogen storage potential of cubic InXH₃ (X = Be, Mg, Ca, Sr, Ba, Ra) hydride perovskites: a comprehensive first principles investigation. [PDF]

Sci Rep
Amin AB, Naeem H, Rizwan M, Usman Z, Wang Y.   +4 more
europepmc   +1 more source

Mechanistic Insights into Regioselective Arene Insertion Using Bis(phosphine) Cobalt(I) Hydrides to Form 1,3-Cyclohexadienes. [PDF]

Organometallics
Lebowitz MJ, Mendelsohn LN, Zhong H, Pecoraro MV, Shevlin M, Chirik PJ.   +5 more
europepmc   +1 more source

Alkali metal cation effects for rapid C-H activation by iron(0) complexes. [PDF]

Chem Sci
Hidalgo N, Southwell KW, Donnelly RS, Mercado BQ, Krajewski SM, Wang X, Holland PL.   +6 more
europepmc   +1 more source