Results 251 to 260 of about 75,155 (342)

From Deep-Sea Natural Product to Optimized Therapeutics: Computational Design of Marizomib Analogs. [PDF]

Int J Mol Sci
Alotaiq N, Dermawan D.
europepmc   +1 more source

Modulating resonance structures toward highly efficient violet-blue organic light-emitting diodes with narrow emission. [PDF]

Chem Sci
Wang X, Gan H, Xie M, Tan W, Niu P, Li M, Liao X, Wang B, Ying L, Yu Y, Ma Y.   +10 more
europepmc   +1 more source

Electric fields at hydrophobic water interfaces: spectroscopic evidence, physical origin, and implications on reactivity.

Chem Soc Rev
Chan KY, Zhuang C, Vuong VG, Qian N, Gao X, Min W.   +5 more
europepmc   +1 more source

How well do various QM-derived net atomic charges reproduce the electrostatic potential surrounding a material across multiple geometric conformations? [PDF]

RSC Adv
Escobosa AC, Manz TA.
europepmc   +1 more source

Reference Depolarization Values for Polar-Organic Aggregates. [PDF]

J Chem Theory Comput
Herrero-Saboya G, Poberznik M, Salles N, Martin-Samos L.   +3 more
europepmc   +1 more source

Dipole synergy enables fast directional charge transport for solar hydrogen and benzaldehyde coproduction. [PDF]

Nat Commun
Wang Z, Zhou D, Tian K, Chen G, Li Y, Liu SF, Lee ST, Ji Y, Yan J.   +8 more
europepmc   +1 more source

The catalyst-free green synthesis and QTAIM analysis of anilino-1,4-naphthoquinones as molecular wires. [PDF]

Sci Rep
Rahimi M, Landarani-Isfahani A, Moghadam M, Safari R, Hadi H, Mohammadpoor-Baltork I, Tangestaninejad S, Nasiri N, Kia R.   +8 more
europepmc   +1 more source

Dative bond to dipole moment

, 1995
This chapter focuses on the dative bond and the dipole moment. A dative or co-ordinate bond is a covalent bond which originates from the donation of an electron-pair from one atom (or group of atoms) to an empty orbital on a second atom. Although the origin of the electron-pair in a co-ordinate bond is usually a lone pair on the donating atom, it can ...
D. Michael P. Mingos
openaire   +2 more sources

On the additivity of bond dipole moment changes arising from bond distortions

Spectrochimica Acta Part A: Molecular Spectroscopy, 1988
Abstract The concept of bond moments and derivatives in the context of vibrational transition moments has been examined by calculations on methylene fluoride and ethene at the 3–21 G* level and N , N -dimethylformamide at the 3–21 G level.
Yordanka Dimitrova, Derek steele
openaire   +2 more sources

The Dipole Moment and Nature of the Chemisorption Bond

Zeitschrift für Elektrochemie, Berichte der Bunsengesellschaft für physikalische Chemie, 1959
AbstractExperimental results are given for the change of work function of three sp metals, copper, silver, gold, and of three transition metals, iron, cobalt, nickel when hydrogen and carbon monoxide are separately chemisorbed at — 192 °C on these metals in the form of an evaporated film, using the space‐charge limited diode method.
R. Culver, J. Pritchard, F. C. Tompkins
openaire   +2 more sources