Results 201 to 210 of about 16,813,404 (391)

Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability.

Journal of Chemical Theory and Computation, 2017
R. Parrish, L. Burns, Daniel G. A. Smith, Andrew C. Simmonett, A. DePrince, E. Hohenstein, U. Bozkaya, A. Sokolov, Roberto Di Remigio, R. M. Richard, U. Bozkaya, Jérôme F Gonthier, Andrew James, Harley R. McAlexander, Ashutosh Kumar, Masaaki Saitow, Xiao Wang, Benjamin P. Pritchard, P. Verma, H. Schaefer, K. Patkowski, R. King, Edward F. Valeev, Francesco A. Evangelista, J. Turney, Daniel Crawford, David Sherrill   +26 more
semanticscholar   +1 more source

Achieving Large and Anisotropic Spin‐Mediated Thermal Transport in Textured Quantum Magnets

Advanced Functional Materials, Volume 35, Issue 12, March 18, 2025.
An advanced solvent‐cast cold pressing method is developed to synthesize highly textured quantum magnets. By aligning spin chains in Ca2CuO3 perpendicular to the pressing direction, a spin‐mediated thermal conductivity of 10 ± 1 W m⁻¹ K⁻¹ is achieved, the highest reported for polycrystalline quantum materials.
Shucheng Guo, Xue Bai, Boqun Liang, Thomas Hoke, Ming Liu, Rafal E. Dunin‐Borkowski, Xi Chen   +6 more
wiley   +1 more source

Electronic Structure of Fullerene Nanoribbons. [PDF]

ACS Nano
Peng B, Pizzochero M.
europepmc   +1 more source

The Electronic Structure of K[Pt(C2H4)Cl3].H2O. [PDF]

, 1966
John W. Moore, Gun Wallerberg, Bodil Jerslev, E. Kulonen, J. Brünvoll, E. Bunnenberg, Carl Djerassi, Ruth Records   +7 more
openalex   +1 more source

Tuning Electronic Structure of NiFe Layered Double Hydroxides with Vanadium Doping toward High Efficient Electrocatalytic Water Oxidation

, 2018
Pengsong Li, Xinxuan Duan, Y. Kuang, Yaping Li, Guoxin Zhang, Wen Liu, Xiaoming Sun   +6 more
semanticscholar   +1 more source

Ultrathin 2D Photocatalysts: Electronic‐Structure Tailoring, Hybridization, and Applications

Advances in Materials, 2018
Jun Di, Jun Xiong, Huaming Li, Zheng Liu
semanticscholar   +1 more source

Thermally Induced Gelling Systems Based on Patchy Polymeric Micelles

Advanced Functional Materials, Volume 35, Issue 12, March 18, 2025.
A novel strategy to design thermally induced gelling systems with tunable material properties is reported. Polymeric mixed‐shell micelles displaying multiple thermosensitive patchy domains formed hydrogels by assembling into well‐entangled worm‐like network structures upon heating to body temperature. The patchy micelle design significantly affects the
Binru Han, Shota Fujii, André J. van der Vlies, Masoud Ghasemi, Joshua T. Del Mundo, Sarah N. Kiemle, Esther W. Gomez, Enrique D. Gomez, Ralph H. Colby, Urara Hasegawa   +9 more
wiley   +1 more source

Electronic Structure and Vibrational Properties of Indenotetracene-Based Crystal. [PDF]

J Comput Chem
Coppola F, Carfora R, Rega N.
europepmc   +1 more source

The electronic structure of some polyenes and aromatic molecules VI-Phenylethylene, stilbene, tolane and the phenylmethyl radical.

, 1938
William George Penney, G. J. Kynch
openalex   +1 more source

The Electronic Structures and Spectra of Pentalene and Heptalene [PDF]

, 1964
Takeshi Nakajima, Yoshiko Yaguchi, Ryoji Kaeriyama, Yuzo Nemoto   +3 more
openalex   +1 more source