Results 101 to 110 of about 1,042 (145)

Cost-Effective Multi-Channel MolOrbImage for Machine-Learned Excited-State Properties of Practical Photofunctional Materials. [PDF]

J Chem Theory Comput
Chen Z, Lam J, Yam VW.
europepmc   +1 more source

The Threshold Photoelectron Spectrum of the Vinylcyclopentadienyl Radical, a C₇H₇ Resonance-Stabilized Radical. [PDF]

J Phys Chem A
McClish R, Bentley MR, Muse M, Jones GH, Franke PR, Schleier D, Hemberger P, Bodi A, Ellison GB, Stanton JF, Bouwman J.   +10 more
europepmc   +1 more source

Does Aromaticity Drive Metal Cation Binding to Nanographenes? Insights Into Regioselectivity and Cation- $$ \pi $$ Bonding. [PDF]

J Comput Chem
Charapale O, Posada-Pérez S, Poater A, Solà M.   +3 more
europepmc   +1 more source

Imaging, spectroscopy and manipulation of C60 molecules on semiconductor surfaces

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  

Change of the aromatic nature through face-to-face stacking. [PDF]

Chem Sci
Wang Q, Nasibullin RT, Sundholm D.
europepmc   +1 more source

Ring Currents in the Clar Goblet Calculated Using Configurational State Averaging. [PDF]

J Phys Chem A
Dickens TK, Mallion RB, Fowler PW, Pickup BT, Mowll-Clarke J.   +4 more
europepmc   +1 more source

Deciphering the molecular origin of the 19.3 eV electronic excitation energy of H₃^. [PDF]

Chem Sci
Toldo JM, Staab JK, Matito E, Foroutan-Nejad C, Ottosson H.   +4 more
europepmc   +1 more source

Simple Hückel Molecular Orbital Theory

core   +1 more source

Decomposition of Molecular Charge and Spin Transfer Global Indexes into Atomic Group Contributions. [PDF]

J Chem Theory Comput
Gatti C, Danten Y, Frayret C.
europepmc   +1 more source

Holographic nature of critical quantum states of proteins. [PDF]

Comput Struct Biotechnol J
Papp E, Vattay G.
europepmc   +1 more source