MODELING THE TETRAETHYLSILANE ELECTRONIC STRUCTURE USING DENSITY FUNCTIONAL THEORY AND PHOTOELECTRON SPECTROSCOPY DATA

Journal of Structural Chemistry ◽

10.1134/s002247662007001x ◽

2020 ◽

Vol 61 (7) ◽

pp. 1001-1006

Author(s):

T N Danilenko ◽

M M Tatevosyan ◽

V G Vlasenko

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Spectroscopy Data ◽

Functional Theory

Download Full-text

SIMULATION OF THE ELECTRONIC STRUCTURE OF C(C2H)4 AND Ge(C2H)4 BY THE DENSITY FUNCTIONAL THEORY USING X-RAY PHOTOELECTRON SPECTROSCOPY DATA

Journal of Structural Chemistry ◽

10.1134/s0022476621110044 ◽

2021 ◽

Vol 62 (11) ◽

pp. 1684-1693

Author(s):

M. M. Tatevosyan ◽

T. N. Zhukova ◽

V. G. Vlasenko

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Spectroscopy Data ◽

Functional Theory ◽

X Ray ◽

The Density Functional Theory

Download Full-text

MODELING OF THE ELECTRONIC STRUCTURE OF TETRAETHYLSILANE USING DENSITY FUNCTIONAL THEORY AND PHOTOELECTRON SPECTROSCOPY DATA

Журнал структурной химии ◽

10.26902/jsc_id58700 ◽

2020 ◽

Vol 61 (7) ◽

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Spectroscopy Data ◽

Functional Theory

Download Full-text

Study of the Electronic Structure of M2(CH2CMe3)6 (M = Mo, W) by Photoelectron Spectroscopy and Density Functional Theory

Organometallics ◽

10.1021/acs.organomet.1c00586 ◽

2021 ◽

Author(s):

Monica de Simone ◽

Marcello Coreno ◽

Roberta Totani ◽

Nicolas E. Capra ◽

Louis Messerle ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Functional Theory

Download Full-text

Electronic structure of commensurate, nearly commensurate, and incommensurate phases of 1T−TaS2 by angle-resolved photoelectron spectroscopy, scanning tunneling spectroscopy, and density functional theory

Physical Review B ◽

10.1103/physrevb.98.195425 ◽

2018 ◽

Vol 98 (19) ◽

Author(s):

I. Lutsyk ◽

M. Rogala ◽

P. Dabrowski ◽

P. Krukowski ◽

P. J. Kowalczyk ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Scanning Tunneling Spectroscopy ◽

Tunneling Spectroscopy ◽

Scanning Tunneling ◽

Functional Theory ◽

Incommensurate Phases

Download Full-text

Electronic Structure of Strained Silicon- and Sulfur-Bridged [1]Ferrocenophanes and an Analogous Dicarbon-Bridged [2]Ferrocenophane: An Investigation by Photoelectron Spectroscopy and Density-Functional Theory

Organometallics ◽

10.1021/om980087l ◽

1998 ◽

Vol 17 (10) ◽

pp. 2113-2120 ◽

Author(s):

Stephen Barlow ◽

Mark J. Drewitt ◽

Tessa Dijkstra ◽

Jennifer C. Green ◽

Dermot O'Hare ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Strained Silicon ◽

Functional Theory

Download Full-text

Insights into the electronic structure of OsO2 using soft and hard x-ray photoelectron spectroscopy in combination with density functional theory

Physical Review Materials ◽

10.1103/physrevmaterials.3.025001 ◽

2019 ◽

Vol 3 (2) ◽

Author(s):

Anna Regoutz ◽

Alex M. Ganose ◽

Lars Blumenthal ◽

Christoph Schlueter ◽

Tien-Lin Lee ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Functional Theory ◽

Download Full-text

New insight brought by density functional theory on the chemical state of alaninol on Cu(100): Energetics and interpretation of x-ray photoelectron spectroscopy data

The Journal of Chemical Physics ◽

10.1063/1.2888562 ◽

2008 ◽

Vol 128 (11) ◽

pp. 114709 ◽

Author(s):

S. Irrera ◽

D. Costa

Keyword(s):

Density Functional Theory ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Chemical State ◽

Spectroscopy Data ◽

Functional Theory ◽

Download Full-text

Electronic structure of perylene on Au studied by ultraviolet photoelectron spectroscopy and density functional theory

Synthetic Metals ◽

10.1016/j.synthmet.2005.04.005 ◽

2005 ◽

Vol 151 (2) ◽

pp. 120-123 ◽

Author(s):

S.J. Kang ◽

Y. Yi ◽

K. Cho ◽

K. Jeong ◽

K.-H. Yoo ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Ultraviolet Photoelectron Spectroscopy ◽

Functional Theory

Download Full-text

Electronic structure ofLaNiO3−xthin films studied by x-ray photoelectron spectroscopy and density functional theory

Physical Review B ◽

10.1103/physrevb.82.165120 ◽

2010 ◽

Vol 82 (16) ◽

Author(s):

Š. Masys ◽

S. Mickevičius ◽

S. Grebinskij ◽

V. Jonauskas

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Functional Theory ◽

Download Full-text

Electronic structure of tris-dibenzoylmethanates of Sc, Y, La rare-earth elements from the results of studies by X-ray photoelectron spectroscopy and density functional theory

Journal of Structural Chemistry ◽

10.1134/s0022476614060080 ◽

2014 ◽

Vol 55 (6) ◽

pp. 1057-1066 ◽

Author(s):

V. V. Korochentsev ◽

V. I. Vovna ◽

I. V. Kalinovskaya ◽

A. A. Komissarov ◽

A. A. Dotsenko ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Rare Earth Elements ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Functional Theory ◽

Download Full-text