Results 131 to 140 of about 56,351 (299)

Correction to Optimization of Protein Backbone Dihedral Angles by Means of Hamiltonian Reweighting. [PDF]

J Chem Inf Model, 2018
Margreitter C, Oostenbrink C.
europepmc   +1 more source

Modulating the Optoelectronic Properties of Tripodal Fluorophores Through Fluorine‐Substituted Peripheral Phenyls

Chemistry – A European Journal, EarlyView.
C3‐symmetric D‐(π‐D‐π‐A)3 fluorophores featuring central triphenylamine donor, polarizable 2,5‐divinylthiophene linker, and a broad portfolio of fluorine‐based substituents show tunable (non)linear optical properties. ABSTRACT Fourteen novel tripodal fluorophores based on a central triphenylamine donor, electron‐rich, and polarizable divinylthiophene ...
Milan Klikar, Eva Prokopová, Lefteris Laleas, Giorgos Soultse, Alexandros Katsidas, Zdeňka Růžičková, Zuzana Burešová, Oldřich Pytela, Filip Bureš, Mihalis Fakis   +9 more
wiley   +1 more source

Error analysis on dihedral angle of corner-cube reflectors in Fourier transform spectrometer

, 2022
HU Jingsen, Min Huang, GAO Han, GAO Han, 中国科学院大学 光电学院，北京 101408   +4 more
openalex   +1 more source

When Dihedral Angles Mask Denticity in Molecular Conductance

ChemPhysChem, EarlyView.
This study tests whether higher molecule–electrode denticity increases conductance in single‐molecule junctions. Using nonequilibrium Green's function technique in conjunction with density functional theory simulations and mechanically controlled break‐junction experiments on a tetradentate N‐heterohexacene, it is found that conductance depends mainly ...
Kevin Batzinger, Dylan Dyer, M. D. Hashan C. Peiris, Tarek H. El‐Assaad, Rashmi Yohani Amarakoon Arachchige, Sam LaMotte, Dominic V. McGrath, Oliver L.A. Monti, Manuel Smeu   +8 more
wiley   +1 more source

Design of Selective Benzoxazepin PI3Kδ Inhibitors Through Control of Dihedral Angles. [PDF]

ACS Med Chem Lett, 2017
Safina BS, Elliott RL, Forrest AK, Heald RA, Murray JM, Nonomiya J, Pang J, Salphati L, Seward EM, Staben ST, Ultsch M, Wei B, Yang W, Sutherlin DP.   +13 more
europepmc   +1 more source

GaIn‐Induced Polarization Control in PVDF for High‐Efficiency Energy Harvesting and Instantaneous Wireless Sensing

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
This study presents a liquid metal–engineered β‐PVDF composite enabling high‐performance piezoelectric–triboelectric nanogenerators. Guided by MD/DFT simulations, GaIn doping promotes β‐phase formation and dipole alignment, while native oxides enhance charge retention.
Jiaqi Lu, Kaihang Zhang, Dinku Hazarika, Liangquan Xu, Jiatong Yao, Lifeng Xuan, Jiafeng Ni, Jianhui Wu, Jie Li, Rui Wan, Xinyu Cai, Chuanrui Chen, Yongjun Wu, Jikui Luo   +13 more
wiley   +1 more source

Optimization of Protein Backbone Dihedral Angles by Means of Hamiltonian Reweighting. [PDF]

J Chem Inf Model, 2016
Margreitter C, Oostenbrink C.
europepmc   +1 more source

Structural review of PPARγ in complex with ligands: Cartesian- and dihedral angle principal component analyses of X-ray crystallographic data

, 2017
Åsmund Kaupang, Tuomo Laitinen, Antti Poso, Trond Vidar Hansen   +3 more
openalex   +2 more sources

A Review of Black Phosphorus‐Based Materials: From Preparation Strategies to Characterization Techniques

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
The structure, properties, preparation methods, and characterization techniques of BP. As a typical 2D layered material, black phosphorus (BP) demonstrates exceptional promise in various fields, particularly in energy storage for alkali metal‐ion batteries. However, its distinctive structure and properties, together with the compositional complexity of
Yunqing Wang, Jinzhi Lyu, Yongxiang Li, Yubing Wang, Xiangming Cui, Jianan Wang, Banglong Wan, Wei Yan   +7 more
wiley   +1 more source

Asymmetric dihedral angle offsets for large-size lunar laser ranging retroreflectors

, 2011
Toshimichi Otsubo, Hiroo Kunimori, Hirotomo Noda, Hideo Hanada, Masami Otsuka, M. Katayama   +5 more
openalex   +1 more source