Results 61 to 70 of about 1,039 (144)

Imaging, spectroscopy and manipulation of C60 molecules on semiconductor surfaces [PDF]

, 2013
Scanning probe microscopy techniques were employed to investigate C60 molecules adsorbed on Si(111)-(7x7) and Ag-Si(111)-(√3x√3)R30o using imaging, spectroscopy, and manipulation methods.
Chiutu, Cristina
core  

Substituent Effects in the Iron 2p and Carbon 1s Edge Near-Edge X-ray Absorption Fine Structure (NEXAFS) Spectroscopy of Ferrocene Compounds

, 2016
The iron 2p and carbon 1s near-edge X-ray absorption fine structure (NEXAFS) spectra of substituted ferrocene compounds (Fe(Cp−(CH3)5)2, Fe(Cp)(Cp−COOH), Fe(Cp−COOH)2, and Fe(Cp−COCH3)2) are reported and are interpreted with the aid of extended Hückel ...
E. Otero (1321302), T. Regier (2059168), R. G. Wilks (2457088), S. G. Urquhart (2036869), R. I. R. Blyth (2457085), A. Moewes (2457082)   +5 more
core   +1 more source

Relative validity of the valence bond theory and of the molecular orbital theory for description of conjugated hydrocarbons

, 1966
It is shown that MO theory predicts the butadiene molecule to be flat, and that VB theory predicts a skewed configuration of this molecule. The calculations of the resonance energy of conjugated systems, using either VB or MO theory, are discussed and ...
Looyenga, H.
core  

Structural and electronic manipulation of fullerenes for use in molecular electronics

The work in this thesis focuses on how the properties of Buckminster Fullerene, C₆₀, and the related endohedral fullerene, Li@C₆₀, can be manipulated to alter their properties using Scanning Tunnelling Microscopy. The end goal of this is, eventually, for
Scougall, Ewan Stuart
core   +1 more source

Quantum-mechanical study of the relationships between chemical structure and chemotherapeutic activity of schistosomicidal thioxanthenes

Pelo método de orbitais moleculares PCILO diferencial, calculamos a energia total como função da conformação das moléculas de lucantona e hicantona. Essas duas drogas são utilizadas em terapêutica como agentes esquistossomicidas.
Senapeschi, Alberto Nicodemo
core   +1 more source

Hückel Molecular-orbital Theory

, 1972
David V. George
core   +1 more source

HÜCKEL MOLECULAR ORBITAL THEORY

, 1978
KEITH YATES
core   +1 more source

Craig Excited-State Aromaticity in Metallabenzenes: How, When, and Why? [PDF]

J Am Chem Soc
Lin X, Wei M, Mo Y.
europepmc   +1 more source

Exploring Hückel Molecular Orbital Energies through Variational and Phase Estimation Quantum Algorithms. [PDF]

J Phys Chem Lett
Han DB, Hu KM, Lim HT, Kim HW.
europepmc   +1 more source

Impacts of Quinone Structure on Trade-Offs Between Redox Potential and CO₂ Binding Strength. [PDF]

Chemphyschem
Taylor JS, Forse AC, Thom AJW.
europepmc   +1 more source