Results 141 to 150 of about 112,364 (305)

Optical Activity of Spin-Forbidden Electronic Transitions in Metal Complexes from Time-Dependent Density Functional Theory with Spin-Orbit Coupling. [PDF]

ChemistryOpen, 2022
Ludowieg HD, Srebro-Hooper M, Crassous J, Autschbach J.   +3 more
europepmc   +1 more source

Exact relations of the quasienergy functional and the exchange-correlation potential from the Floquet formulation of time-dependent density functional theory

, 2000
Dmitry A. Telnov, Shih‐I Chu
openalex   +2 more sources

Multiphoton above-threshold detachment ofLi−:Exterior-complex-scaling– generalized-pseudospectral method for calculations of complex-quasienergy resonances in Floquet formulation of time-dependent density-functional theory [PDF]

, 2002
Dmitry A. Telnov, Shih‐I Chu
openalex   +1 more source

Structural and functional characterization of chitinase from carnivorous plant Drosera adelae

FEBS Open Bio, EarlyView.
A class I chitinase from the carnivorous plant Drosera adelae was expressed and purified using a yeast system, revealing high enzymatic activity. Structural analyses of the catalytic and chitin‐binding domains identified key tyrosine residues involved in substrate binding, offering insights into the enzyme's adaptation for insect digestion.
Kazunari Yoneda, Yuki Naruse, Yusaku Suizu, Tomohiro Araki, Yoshikazu Hoshi, Haruhiko Sakuraba, Junji Hayashi, Toshihisa Ohshima   +7 more
wiley   +1 more source

The Difference between Plasmon Excitations in Chemically Heterogeneous Gold and Silver Atomic Clusters

Molecules
Weak doping can broaden, shift, and quench plasmon peaks in nanoparticles, but the mechanistic intricacies of the diverse responses to doping remain unclear.
Fanjin Zeng, Lin Long, Shuyi Wang, Xiong Li, Shaohong Cai, Dongxiang Li   +5 more
doaj   +1 more source

Quantum-electrodynamical time-dependent density functional theory within Gaussian atomic basis. [PDF]

J Chem Phys, 2021
Yang J, Ou Q, Pei Z, Wang H, Weng B, Shuai Z, Mullen K, Shao Y.   +7 more
europepmc   +1 more source

Optical excitations of Si by time‐dependent density functional theory based on exact‐exchange Kohn–Sham band structure [PDF]

, 2002
Yong‐Hoon Kim, M. Städele, Andreas Görling   +2 more
openalex   +1 more source

Diffusion‐based size determination of solute particles: a method adapted for postsynaptic proteins

FEBS Open Bio, EarlyView.
We present a diffusion‐based approach for measuring the size of macromolecules and their complexes, and demonstrate its use on postsynaptic proteins. The method requires fluorescein‐labelled protein samples, a microfluidic device that maintains laminar flow for said samples, a microscope recording the emitted fluorescent signals, and an analytic ...
András László Szabó, Eszter Nagy‐Kanta, Soma Varga, Edit Andrea Jáger, Csaba István Pongor, Mária Laki, András József Laki, Zoltán Gáspári   +7 more
wiley   +1 more source

Time-Dependent Density Functional Theory Calculations of N- and S-Doped TiO₂ Nanotube for Water-Splitting Applications. [PDF]

Nanomaterials (Basel), 2021
Lin YP, Isakoviča I, Gopejenko A, Ivanova A, Začinskis A, Eglitis RI, D'yachkov PN, Piskunov S.   +7 more
europepmc   +1 more source

The impact of Hnrnpl deficiency on transcriptional patterns of developing muscle cells

FEBS Open Bio, EarlyView.
We performed nanopore whole‐transcriptome sequencing comparing RNA from Hnrnpl‐knockdown versus control C2C12 myoblasts to investigate the contributions of Hnrnpl to muscle development. Our results indicate that Hnrnpl regulates the expression of genes involved with Notch signaling and skeletal muscle, particularly splicing patterns of specific muscle ...
Hannah R. Littel, Mekala Gunasekaran, Audrey L. Daugherty, Natalya M. Wells, Johnnie Turner, Christine C. Bruels, Christina A. Pacak, Isabelle Draper, Peter B. Kang   +8 more
wiley   +1 more source