Results 81 to 90 of about 319,986 (110)

Designing High‐Valence Metal Sites for Electrochemical Water Splitting

Advanced Functional Materials, 2021
Electrochemical water splitting is a critical energy conversion process for producing clean and sustainable hydrogen; this process relies on low‐cost, highly active, and durable oxygen evolution reaction/hydrogen evolution reaction electrocatalysts ...
Hainan Sun, Wei Zhou, Xiaomin Xu
exaly   +2 more sources

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy.

Physical Chemistry, Chemical Physics - PCCP, 2005
Gaussian basis sets of quadruple zeta valence quality for Rb-Rn are presented, as well as bases of split valence and triple zeta valence quality for H-Rn. The latter were obtained by (partly) modifying bases developed previously. A large set of more than
F. Weigend, R. Ahlrichs
semanticscholar   +1 more source

Bond-valence parameters for solids

, 1991
Bond-valence parameters which relate bond valences and bond lengths have been derived for a large number of bonds. It is shown that there is a strong linear correlation between the parameters for bonds from cations to pairs of anions. This correlation is
N. Brese, M. O'Keeffe
semanticscholar   +1 more source

Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr

, 1994
Contracted Gaussian basis sets of triple zeta valence (TZV) quality are presented for Li to Kr. The TZV bases are characterized by typically including a single contraction to describe inner shells and three basis functions for valence shells.
A. Schäfer   +2 more
semanticscholar   +1 more source

Effect of valence electron concentration on stability of fcc or bcc phase in high entropy alloys

, 2011
Phase stability is an important topic for high entropy alloys (HEAs), but the understanding to it is very limited. The capability to predict phase stability from fundamental properties of constituent elements would benefit the alloy design greatly.
Sheng Guo, Chun Ng, Jian Lu, C. Liu
semanticscholar   +1 more source

Gaussian basis sets for use in correlated molecular calculations. V. Core-valence basis sets for boron through neon

, 1995
The correlation‐consistent polarized valence basis sets (cc‐pVXZ) for the atoms boron through neon have been extended to treat core and core‐valence correlation effects.
D. Woon, T. Dunning
semanticscholar   +1 more source

Valence Politics

The Oxford Handbook of Public Choice, Volume 1, 2019
In the context of politics, the term valence refers to bonds between candidates and some desirable qualities in the public’s mind. This chapter provides a review of formal models of spatial political competition when candidates differ in their exogenous ...
Haldun Evrenk
semanticscholar   +1 more source

Valence oscillation and dynamic active sites in monolayer NiCo hydroxides for water oxidation

Nature Catalysis, 2021
Jianxin Kang   +9 more
semanticscholar   +1 more source

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