Results 61 to 70 of about 803,698 (154)

Quantum chemistry - from the first steps to linear-scaling electronic structure methods. [PDF]

Pure Appl Chem
Graf D, Drontschenko V, Stan-Bernhardt A, Ochsenfeld C.   +3 more
europepmc   +1 more source

The Electronic Structure of Planar Rhombic Co₂O₂. [PDF]

J Phys Chem A
Du D, Xiao N, Li X, Dimitrova M, Sundholm D, Xiong XG.   +5 more
europepmc   +1 more source

Strain control of the electronic structure in WS₂ homobilayers with 0° and 60° stacking angles. [PDF]

Nanoscale
Jadriško V, Landa-Garcia I, Novko D, Radatović B, Lei Q, Vujičić N, Gadermaier C, Castellanos-Gomez A, Xie Y.   +8 more
europepmc   +1 more source

Decoupling of Spin and Non-Spin Effects From Electronic Structure Modulation for Oxygen Electrocatalysis. [PDF]

Adv Sci (Weinh)
Zhao Y, Ji Z, Xiao X, Fang Z, Hou Y.
europepmc   +1 more source

Synthesis and Electronic Structure of a Tetraazanaphthalene Radical-Bridged Yttrium Complex. [PDF]

ACS Org Inorg Au
Deshapriya S, Demir S.
europepmc   +1 more source

Theoretical investigation of the electronic structure and magnetic properties of Ru doped LiFeAs. [PDF]

Sci Rep
Kasiab MZ, Tadele K, Afrassa MA, Akin-Ojo O, Hurrisa TF.   +4 more
europepmc   +1 more source

Chain-ordered Pt atoms with delocalized electronic structure for improved hydrogen production. [PDF]

Nat Commun
Sang X, Zhang P, Shi W, An X, Shi Z, Chen L, Xia H, Jiang Y, Wang J, Kosmala T, Gao C, Gong C, Wei X, Zhang Z, He Y.   +14 more
europepmc   +1 more source

Slimmer Geminals For Accurate F12 Electronic Structure Models. [PDF]

J Chem Theory Comput
Powell SR, Surjuse KA, Gaudel B, Valeev EF.   +3 more
europepmc   +1 more source

Effect of hydrogen migration on the electronic structure of phenol derivatives observed by single-molecule conductance. [PDF]

Nat Commun
Wei X, Li M, Chang X, Song Z, Duan P, Jia C, Guo X.   +6 more
europepmc   +1 more source

An Experimental and Theoretical Study of the Valence Shell Electronic Structure of Nitromethane. [PDF]

J Phys Chem A
Powis I, Cuéllar-Zuquin J, Giussani A, Segarra-Martí J, Gans B, Jacovella U, Bozek JD, Pratt ST, Holland DMP.   +8 more
europepmc   +1 more source