Results 161 to 170 of about 131,197 (331)

Dependence of Amino Acid Side Chain ¹³C Shifts on Dihedral Angle: Application to Conformational Analysis

, 2008
Robert E. London, Brett D. Wingad, Geoffrey A. Mueller   +2 more
openalex   +1 more source

Prediction of secondary structure and dihedral angles in proteins [PDF]

, 2008
Tonglian Zhou, Nanjiang Shu, Sven Hovmöller   +2 more
openalex   +1 more source

Dihedral angle prediction using generative adversarial networks

, 2018
72 pages, MSc thesis under the supervision of Assoc. Prof. Thomas Hamelryck and Asst. Prof.
openaire   +2 more sources

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

Facile synthesis of gold trisoctahedral nanocrystals with controllable sizes and dihedral angles

, 2018
Da Huo, Hong‐Ming Ding, Shan Zhou, Jun Li, Jing Tao, Yu‐qiang Ma, Younan Xia   +6 more
openalex   +2 more sources

On a certain nonstationary problem in a dihedral angle. I [PDF]

, 1994
E. V. Frolova
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

Microscopic insight into the shaping of MOFs and its impact on CO₂ capture performance. [PDF]

Chem Sci, 2023
Naskar S, Fan D, Ghoufi A, Maurin G.
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

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