Results 201 to 210 of about 2,403,076 (339)

Assessing the Reliability of Truncated Coupled Cluster Wave Function: Estimating the Distance from the Exact Solution. [PDF]

J Chem Theory Comput
Ganyecz Á, Benedek Z, Petrov K, Barcza G, Olasz A, Werner MA, Legeza Ö.   +6 more
europepmc   +1 more source

Spatial Imaging of theH2+Vibrational Wave Function at the Quantum Limit [PDF]

, 2012
L. Ph. H. Schmidt, T. Jahnke, A. Czasch, M. S. Schöffler, H. Schmidt‐Böcking, R. Dörner   +5 more
openalex   +1 more source

Transparent Inorganic–Organic Bilayer Neural Electrode Array and Integration to Miniscope System for In Vivo Calcium Imaging and Electrophysiology

Advanced Functional Materials, EarlyView.
This study presents the BioCLEAR system, a highly transparent and conductive neural electrode array composed of silver nanowires (AgNWs) and doped PEDOT:PSS, enabling neural recordings with minimal optical artifacts. When integrated with a GRIN lens, this cost‐effective neural implant allows simultaneous electrophysiological recording and GCaMP6‐based ...
Dongjun Han, Kevin Cheng, Swathy Sampath Kumar, Anil Bollimunta, Elizabeth E. Torr, Juhwan Kim, Kyoungmin Kim, Hyungjun Choi, Seongkwon Hwang, Sarah Brodnick, David Cheng, Lindsay Gray, Yei Hwan Jung, William L. Murphy, Aaron J. Suminski, Jonathan J. Nassi, Justin C. Williams, Dong‐Wook Park   +17 more
wiley   +1 more source

Response of a General Restricted Open-Shell Hartree-Fock Wave Function. I: Formalism, Analytic Gradients, and Electric and Magnetic Response Properties. [PDF]

J Phys Chem A
Neese F.
europepmc   +1 more source

FFT Analysis of Chaos Waves Produced by Map Functions

, 2004
Tadayoshi KOIZUMI, Chihiro OONISHI
openalex   +1 more source

Ionic Control of Microstructure and Lubrication in Charged, Physically Cross‐Linked Hydrogels

Advanced Functional Materials, EarlyView.
Here, charged, physically cross‐linked poly(methacrylamide‐co‐methacrylic acid) hydrogels stabilized by a short‐range attractive, long‐range repulsive potential is investigated. This work uncovers how salt addition alters not only swelling, but also the microstructure and dynamics, near‐surface stiffness and charge, and ultimately, its lubricity. Salts
Alexander Deptula, Rosa M. Espinosa‐Marzal   +1 more
wiley   +1 more source

FragPT2: Multifragment Wave Function Embedding with Perturbative Interactions. [PDF]

J Chem Theory Comput
Koridon E, Sen S, Visscher L, Polla S.
europepmc   +1 more source

Decoupling Size and Electronic Effects in Doped SrTiO3 Photocatalysts Through Surface Area–Normalized CO2 Hydrogenation Rates

Advanced Functional Materials, EarlyView.
Exploring the photocatalytic reverse water–gas shift (RWGS) reaction on doped SrTiO3 nanoparticle films, reveals that normalizing catalytic rates by the catalyst's specific surface area (SSA) disentangled surface area effects from the catalyst's intrinsic material properties.
Dikshita Bhattacharyya, Baliana Shani, Isaac Holmes‐Gentle, Gerardo T Martinez, Martyn McLachlan, Nicola Seriani, Ludmilla Steier   +6 more
wiley   +1 more source

Approximation to Second Order N-Electron Valence State Perturbation Theory: Limiting the Wave Function within Singles. [PDF]

J Chem Theory Comput
Guo Y, Pernal K.
europepmc   +1 more source

Electroactive Metal–Organic Frameworks for Electrocatalysis

Advanced Functional Materials, EarlyView.
Electrocatalysis is crucial in sustainable energy conversion as it enables efficient chemical transformations. The review discusses how metal–organic frameworks can revolutionize this field by offering tailorable structures and active site tunability, enabling efficient and selective electrocatalytic processes.
Irena Senkovska, Yutong Luo, Ruyan Zhao, Jianjun Zhang, Mingchao Wang, Xinliang Feng, Eike Brunner, Stefan Kaskel   +7 more
wiley   +1 more source