Results 121 to 130 of about 8,581,160 (147)

Quantum Interference Supernodes, Thermoelectric Enhancement, and the Role of Dephasing. [PDF]

Entropy (Basel)
Bergfield JP.
europepmc   +1 more source

Orbital-based bonding analysis in solids. [PDF]

Chem Sci
Müller PC, Reitz LS, Hemker D, Dronskowski R.   +3 more
europepmc   +1 more source

Crystalline nitrogen chain radical anions. [PDF]

Nat Chem
Lister-Roberts R, Galano D, van IJzendoorn B, Whitehead GFS, Brookfield A, Bowen AM, Kaltsoyannis N, Mehta M.   +7 more
europepmc   +1 more source

Quantum interference features and thermoelectric properties of macrocyclic-single molecules: theoretical and modelling investigation. [PDF]

Nanoscale Adv
Halboos SH, Al-Owaedi OA, Al-Robayi EM.
europepmc   +1 more source

Automated Discovery of Algorithms for Molecular Electronic Structure Calculations Using Physics-Informed Program Synthesis. [PDF]

J Am Chem Soc
Acheson K, Turanyi R, Habershon S.
europepmc   +1 more source

An argument for abandoning the "allowed" and "forbidden" classification of electrocyclic reactions. [PDF]

Chem Sci
Carpenter BK.
europepmc   +1 more source

DNA base pairs: the effect of the aromatic ring on the strength of the Watson-Crick hydrogen bonding.

Org Biomol Chem
Nieuwland C, van Well MJ, Guillaumes L, de Vey Mestdagh A, Dekker L, Nieuweboer C, Simon S, Fonseca Guerra C.   +7 more
europepmc   +1 more source

Some of the next articles are maybe not open access.

Related searches:

Composite Correlated Molecular Orbital Theory Calculations of Ring Strain for Use in Predicting Polymerization Reactions

ChemPhysChem, 2022
Matthew Confer, David Dixon, David Dixon   +2 more
exaly  

A unified scheme forab initiomolecular orbital theory and path integral molecular dynamics

Journal of Chemical Physics, 2001
Shinichi Miura, Masanori Tachikawa, Motoyuki Shiga   +2 more
exaly  

Linear scaling second-order Moller–Plesset theory in the atomic orbital basis for large molecular systems

Journal of Chemical Physics, 1999
Gustavo Scuseria
exaly