Results 81 to 90 of about 58,860,686 (124)

PHOTH-graphene: a new 2D carbon allotrope with low barriers for Li-ion mobility. [PDF]

Sci Rep
Santos EAJ, Lima KAL, Mendonça FLL, Silva DAD, Giozza WF, Junior LAR.   +5 more
europepmc   +1 more source

Shedding Light on the Capabilities of Heteroditopic Mechanically Interlocked Molecules in Ion-Pair Sensing. [PDF]

J Phys Chem A
Amorim FJ, Pagliarini FRF, Parreira RLT, Caramori GF.   +3 more
europepmc   +1 more source

ThermoPred: AI-Enhanced Quantum Chemistry Data Set and ML Toolkit for Thermochemical Properties of API-Like Compounds and Their Degradants. [PDF]

J Chem Inf Model
Santos DP, Dias-Silva JR, Júnior LHKQ, de Oliveira HCB.   +3 more
europepmc   +1 more source

Unraveling the Spin-to-Charge Current Conversion Mechanism and Charge Transfer Dynamics at the Interface of Graphene/WS₂ Heterostructures at Room Temperature. [PDF]

ACS Appl Mater Interfaces
Cunha RO, Garcia-Basabe Y, Larrude DG, Gamino M, N Lima E, Crasto de Lima F, Fazzio A, Rezende SM, Azevedo A, Mendes JBS.   +9 more
europepmc   +1 more source

Elucidating the Toxic Mechanism of NiWO₄ to a Neotropical Microcrustacean: Experimental and Theoretical Insights. [PDF]

ACS Omega
B de Abreu C, Gebara RC, Dorini TT, Rocha GS, Mansano ADS, Assis M, Pereira TM, Virtuoso LS, San-Miguel MA, Melão MDGG, Longo E.   +10 more
europepmc   +1 more source

Akamptisomerism Beyond Porphyrins: Bond Angle Reflection and Stereochemical Divergences in Corrole- and Porphyrin-Anchored B-O-B Bridges. [PDF]

Inorg Chem
de Andrade KN, Rocha PLL, de Miranda DB, Raffaeli NM, Ferreira GB, Fiorot RG.   +5 more
europepmc   +1 more source

Mechanistic insights into the noncovalent inhibition of SARS-CoV-2 PLpro: a multiscale computational study. [PDF]

J Comput Aided Mol Des
da Silva Ribeiro FV, da Penha Valente RP, Kruger HG, de Oliveira Araújo J, Silva JRA.   +4 more
europepmc   +1 more source

Bibliotecas e Ferramentas para Computação Numérica de Alto Desempenho [PDF]

, 2019
Cleber Roberto Milani, Mateus Raeder, Bernardo Goerl, Mariana Kolberg, Luiz Gustavo Leão Fernandes   +4 more
core   +1 more source

Responsive Supramolecular Sensors Based on Pillar[5]arene-BTD Complexes for Aqueous Sensing: From Static Quenching to Anion and DNA Recognition. [PDF]

ACS Omega
Silva da Conceição DK, Petter daVeiga Y, Dotti C, García-Río L, Gerola AP, de Castro Silva Junior H, Rodembusch FS, Affeldt RF, Moro AV.   +8 more
europepmc   +1 more source

Stimulus representations in visual cortex shaped by spatial attention and microsaccades. [PDF]

Proc Natl Acad Sci U S A
Srinivasan K, Lowet E, Gomes B, Desimone R.   +3 more
europepmc   +1 more source