Results 281 to 290 of about 7,360,473 (315)

Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

, 1994
P. Stephens, F. Devlin, C. Chabalowski, M. Frisch   +3 more
semanticscholar   +1 more source

Effect of the damping function in dispersion corrected density functional theory

Journal of Computational Chemistry, 2011
S. Grimme, S. Ehrlich, L. Goerigk
semanticscholar   +1 more source

A high-energy-density and long-life initial-anode-free lithium battery enabled by a Li2O sacrificial agent

Nature Energy, 2021
Yu Qiao, Huijun Yang, Zhi Chang
exaly  

Interfacial engineering to achieve an energy density of over 200 Wh kg−1 in sodium batteries

Nature Energy, 2022
Yuqi Li, Feixiang Ding, Xingguo Qi
exaly  

Operando cathode activation with alkali metal cations for high current density operation of water-fed zero-gap carbon dioxide electrolysers

Nature Energy, 2021
Balázs Endrődi, Csaba Janaky
exaly  

Clustering by fast search and find of density peaks

Science, 2014
Alex Rodriguez, A. Laio
semanticscholar   +1 more source

A New Mixing of Hartree-Fock and Local Density-Functional Theories

, 1993
A. Becke
semanticscholar   +1 more source

Density-functional approximation for the correlation energy of the inhomogeneous electron gas.

Physical Review B (Condensed Matter), 1986
J. Perdew
semanticscholar   +1 more source

Protein production by auto-induction in high density shaking cultures.

Protein Expression and Purification, 2005
F. Studier
semanticscholar   +1 more source

Multivariate Density Estimation, Theory, Practice and Visualization

, 1992
D. W. Scott
semanticscholar   +1 more source