The molecular structure of gaseous dichloro(dimethylamino)phosphane, Cl 2 PN(CH 3 ) 2 , by electron diffraction and density functional theory calculations

Electron Diffraction ◽

Density Functional ◽

N,N-Dimethylthioformamide andN,N-Dimethylthiocarbamoyl Chloride: Molecular Structure by Gas-Phase Electron Diffraction and ab Initio Molecular Orbital and Density Functional Theory Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp022419c ◽

2003 ◽

Vol 107 (23) ◽

pp. 4697-4706 ◽

Cited By ~ 4

Author(s):

Tore H. Johansen ◽

Kolbjørn Hagen

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Molecular Orbital ◽

Density Functional ◽

Functional Theory ◽

ChemInform Abstract: Molecular Structure of C(GeBr3)4 Determined by Gas-Phase Electron Diffraction and Density Functional Theory Calculations: Implications for the Length and Stability of Ge-C Bonds in Crystalline Semiconductor Solids.

ChemInform ◽

10.1002/chin.199805001 ◽

2010 ◽

Vol 29 (5) ◽

pp. no-no

Author(s):

A. HAALAND ◽

D. J. SHOROKHOV ◽

T. G. STRAND ◽

J. KOUVETAKIS ◽

M. O'KEEFFE

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Gas Phase ◽

Density Functional ◽

Functional Theory ◽

Crystalline Semiconductor ◽

Molecular Structure of Dimethyldichlorotitanium(IV) by Gas-Phase Electron Diffraction, IR and NMR Spectroscopies, and Density Functional Theory Calculations. Unexpected Distortion from Tetrahedral Coordination Geometry

Inorganic Chemistry ◽

10.1021/ic960177n ◽

1996 ◽

Vol 35 (16) ◽

pp. 4713-4718 ◽

Cited By ~ 16

Author(s):

G. Sean McGrady ◽

Anthony J. Downs ◽

Donald C. McKean ◽

Arne Haaland ◽

Wolfgang Scherer ◽

...

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Gas Phase ◽

Density Functional ◽

Coordination Geometry ◽

Tetrahedral Coordination ◽

Functional Theory ◽

Molecular structure of monomeric scandium trichloride by gas electron diffraction and density functional theory calculations on ScCl3 and Sc2Cl6 †

Journal of the Chemical Society Dalton Transactions ◽

10.1039/a803339k ◽

1998 ◽

pp. 2787-2792 ◽

Cited By ~ 14

Author(s):

Arne Haaland ◽

Kjell-Gunnar Martinsen ◽

Dmitry J. Shorokhov ◽

Georgiy V. Girichev ◽

Vasili I. Sokolov

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Density Functional ◽

Gas Electron Diffraction ◽

Molecular structure and conformational composition of decamethyl-n-tetrasilane, Si4Me10, by gas electron diffraction and density functional theory calculations

Journal of Organometallic Chemistry ◽

10.1016/s0022-328x(99)00650-6 ◽

2000 ◽

Vol 597 (1-2) ◽

pp. 87-91 ◽

Cited By ~ 6

Author(s):

Alexander V Belyakov ◽

Arne Haaland ◽

Dmitry J Shorokhov ◽

Robert West

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Density Functional ◽

Gas Electron Diffraction ◽

Conformational Composition ◽

The molecular structure of dicyclopentadienylzinc (zincocene) determined by gas electron diffraction and density functional theory calculations: η5,η5, η3,η3 or η5,η1 coordination of the ligand rings?

Journal of Organometallic Chemistry ◽

10.1016/s0022-328x(03)00770-8 ◽

2003 ◽

Vol 684 (1-2) ◽

pp. 351-358 ◽

Cited By ~ 16

Author(s):

Arne Haaland ◽

Svein Samdal ◽

Natalya V Tverdova ◽

Georgii V Girichev ◽

Nina I Giricheva ◽

...

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Density Functional ◽

Gas Electron Diffraction ◽

Molecular Structure of C(GeBr3)4Determined by Gas-Phase Electron Diffraction and Density Functional Theory Calculations: Implications for the Length and Stability of Ge−C Bonds in Crystalline Semiconductor Solids

Inorganic Chemistry ◽

10.1021/ic970582u ◽

1997 ◽

Vol 36 (23) ◽

pp. 5198-5201 ◽

Cited By ~ 8

Author(s):

Arne Haaland ◽

Dmitry J. Shorokhov ◽

Tor G. Strand ◽

John Kouvetakis ◽

Michael O'Keeffe

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Gas Phase ◽

Density Functional ◽

Functional Theory ◽

Crystalline Semiconductor ◽

Surface structure of In2O3(111) (1×1) determined by density functional theory calculations and low energy electron diffraction

Surface Science ◽

10.1016/j.susc.2011.07.014 ◽

2012 ◽

Vol 606 (1-2) ◽

pp. 1-6 ◽

Cited By ~ 15

Author(s):

K. Pussi ◽

A. Matilainen ◽

V.R. Dhanak ◽

A. Walsh ◽

R.G. Egdell ◽

...

Keyword(s):

Electron Diffraction ◽

Surface Structure ◽

Density Functional ◽

Low Energy ◽

Energy Electron ◽

Functional Theory ◽

Low Energy Electron Diffraction ◽

Low Energy Electron

MOLECULAR STRUCTURE, QUANTUM CHEMICAL AND SPECTROSCOPIC PROPERTIES OF 2,6–DIBROMONAPHTHALENE BY DENSITY FUNCTIONAL THEORY CALCULATIONS

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.131834 ◽

2021 ◽

pp. 131834

Author(s):

Tevfik Raci SERTBAKAN ◽

Fatmanur ÖZÇELİK

Keyword(s):

Molecular Structure ◽

Quantum Chemical ◽

Density Functional ◽

Spectroscopic Properties ◽

Molecular Structure and Hydrogen Bonding of 2-Aminoethanol, 1-Amino-2-Propanol, 3-Amino-1-Propanol, and Binary Mixtures with Water Studied by Fourier Transform Near-Infrared Spectroscopy and Density Functional Theory Calculations

Applied Spectroscopy ◽

10.1366/000370210790918445 ◽

2010 ◽

Vol 64 (3) ◽

pp. 351-359 ◽

Cited By ~ 21

Author(s):

Krzysztof Zdzisław Haufa ◽

Mirosław Antoni Czarnecki

Keyword(s):

Molecular Structure ◽

Hydrogen Bonding ◽

Fourier Transform ◽

Infrared Spectroscopy ◽

Near Infrared Spectroscopy ◽

Density Functional ◽

Near Infrared ◽