Results 121 to 130 of about 62,639 (186)

Hydration-induced modulation of aromaticity and reactivity in anthocyanidins: a quantum mechanical study. [PDF]

RSC Adv
Shankar A.
europepmc   +1 more source

Delocalization versus Coherence under Vibrational and Environmental Disorder in Photoexcited Supramolecular Aggregates. [PDF]

J Am Chem Soc
Giannini S, Segalina A, Padula D, Cantina M, Pastore M, Prampolini G, Santoro F.   +6 more
europepmc   +1 more source

An Orthogonal Electronic State View on Charge Delocalization and Transfer. [PDF]

J Phys Chem A
Folkestad SD, Høyvik IM.
europepmc   +1 more source

How to evaluate aromaticity under pressure? Benzene as a benchmark system. [PDF]

Chem Sci
Eeckhoudt J, Dellwisch A, Plump A, Zeller F, Neudecker T, De Proft F, Alonso M.   +6 more
europepmc   +1 more source

Schleyer-type hyperconjugative aromaticity in CH isomers of diazoles revealed by DFT and NBO analysis. [PDF]

Sci Rep
Dehkordi PN, Saeidian H, Mirjafary Z, Rouhani M.   +3 more
europepmc   +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

Manifestations of Boron-Alkali Metal and Boron-Alkaline-Earth Metal Romances. [PDF]

Acc Chem Res
Cui ZH, Cui LJ, Barroso J, Guo JC, Zhai HJ, Pan S, Merino G.   +6 more
europepmc   +1 more source

Oxidation of a Dihydrophenazine Molecular Wire Attenuates Molecular Conductance. [PDF]

J Am Chem Soc
Nau M, Ahmed R, Leitherer S, Solomon GC, Winter RF.   +4 more
europepmc   +1 more source

Complete defluorination of PFASs via photocatalytic reduction in water. [PDF]

Nat Commun
Chong M, Zhou Q, Xu J, Wu Z, Zhu E, Li W, Zhang L, Guo Y, Zhu Y.   +8 more
europepmc   +1 more source

A theoretical framework to understand high electron mobilities in cable bacteria. [PDF]

Chem Sci
Smith AJ, Beratan DN.
europepmc   +1 more source