Results 181 to 190 of about 46,736 (253)

When Dihedral Angles Mask Denticity in Molecular Conductance. [PDF]

Chemphyschem
Batzinger K, Dyer D, Peiris MDHC, El-Assaad TH, Arachchige RYA, LaMotte S, McGrath DV, Monti OLA, Smeu M.   +8 more
europepmc   +1 more source

Chemical Kinetics of 2‐, 4‐, and 2,4‐Seleno‐Uracils at Low Temperatures: Tautomerizations and Rotamerizations on Inert Matrices

International Journal of Chemical Kinetics, EarlyView.
ABSTRACT In the interstellar medium, chemical reactions proceed under conditions vastly different to those on Earth; these include extremely low temperatures and densities and take place in the gas phase and on water–ice grains. Understanding the energetics and more importantly the kinetics of such reactions is of relevance to the consequences on how ...
Judith Wurmel, John M. Simmie
wiley   +1 more source

Structure and function of periplasmic nitrate reductase. [PDF]

Biochem Soc Trans
Mongkonpruthangkoon C, Giri NC, Basu P.
europepmc   +1 more source

Cis–Trans Rotational Isomerism of Formic Acid, Sulfur, and Selenium Analogues and Their Dimers: Chemical Kinetics Under Interstellar Conditions

International Journal of Chemical Kinetics, EarlyView.
ABSTRACT We present chemical kinetic rate constants for the cis to trans isomerisation or rotamerization of monomeric seleno‐, thio‐, and formic acids and that of three of their dimeric species, based on variational transition state theory and multidimensional tunneling calculations in the gas‐phase, from 10 K to 300 K. These provide, firstly, reliable
Judith Wurmel, John M. Simmie
wiley   +1 more source

Medium-Range Structural Order in Amorphous Arsenic. [PDF]

J Am Chem Soc
Liu Y, Zhou Y, Ademuwagun R, Walterbos L, George J, Elliott SR, Deringer VL.   +6 more
europepmc   +1 more source

A green solvent processable, self‐doped N‐annulated perylene butyl tetraester applied as a solar cell cathode interlayer

Polymer International, EarlyView.
A new organic molecular cathode interlayer is presented built upon the perylene butyl tetraester scaffold. The new molecule incorporates N‐annulation and a functional amine group to control optical, electrochemical and physical properties and delivers excellent solar cell performance. Abstract We report a new amino‐bay‐substituted, N‐annulated perylene
Kathryn M Wolfe, Shahidul Alam, Zachary T Gardner, Biswajit Pal, Alexander Harrison, Frédéric Laquai, Chad Risko, Gregory C Welch   +7 more
wiley   +1 more source

Rewiring Receptor Activation: Mechanistic Insights into Toggle Switch Modulation by 25CN-NBx Compounds. [PDF]

ACS Chem Neurosci
Palmisano VF, Vidal Sánchez M, Nogueira JJ.   +2 more
europepmc   +1 more source

An all‐polymer blend for photovoltaic applications: A combined photoabsorption, photoemission and ab initio multi‐configurational study

Polymer International, EarlyView.
Near‐edge X‐ray absorption fine structure, X‐ray photoelectron spectroscopy and multi‐configuration self‐consistent field results show, respectively, preferential edge‐on and face‐on orientations for the thiophene and naphthalene diimide units of the PBDB‐T‐SF:P(NDI2OD‐T2) all‐polymer blend, and surface accumulation of the acceptor.
Cássia Ferreira Coutinho Pereira, Luís Felipe de Lima Pimentel, Alexandre B. Rocha, Maria Luiza M. Rocco   +3 more
wiley   +1 more source

Crystal structure and computational study of 1-hy-droxy-3,6,7-trimeth-oxy-2,8-bis-(3-methyl-but-2-en-1-yl)-9<i>H</i>-xanthen-9-one (fuscaxanthone C). [PDF]

Acta Crystallogr E Crystallogr Commun
Sim WC, Kwong HC, Ee GCL, Mohamed Tahir MI.   +3 more
europepmc   +1 more source

Impacts of Fluorination at the Ortho‐Position of Carboxy Groups on Tetrakis(biphenyl)ethene‐Based Hydrogen‐Bonded Framework

Small, EarlyView.
This work provides new findings on the effect of fluorination on the substitution of TPE derivatives and the modulation of the structure and fluorescence properties of hydrogen‐bonded organic framework (HOF) of F‐CBPE. ABSTRACT Fluorination of building block molecules is one of the effective engineering approaches to modulate molecular assembly in ...
Takuto Fujii, Mario de la Hoz Tomás, Ryusei Oketani, Boiko Cohen, Ken‐ichi Otake, Kazuki Shiga, Norimitsu Tohnai, Abderrazzak Douhal, Ichiro Hisaki   +8 more
wiley   +1 more source