Results 161 to 170 of about 7,558,016 (299)

Proximity‐Tuned Magnetic and Transport Anomalies in All‐Epitaxial Fe5−xGeTe2/WSe2 Van der Waals Heterostructures

Advanced Functional Materials, EarlyView.
All‐epitaxial and scalable ferromagnetic/non‐magnetic Fe5−xGeTe2/WSe2 van der Waals (vdW) heterostructures exhibiting room‐temperature magnetism and perpendicular magnetic anisotropy (PMA) are realized. The system displays proximity‐tuned magnetic anisotropy, thickness‐dependent unconventional Hall effects, and temperature‐dependent sign reversal of ...
Hua Lv, Tauqir Shinwari, Kacho Imtiyaz Ali Khan, Jens Herfort, Chen Chen, Joan M. Redwing, Mehak Loyal, Gerhard Jakob, Mathias Kläui, Achim Trampert, Bernat Mundet, Belén Ballesteros, Manfred Ramsteiner, Roman Engel‐Herbert, Michael Hanke, João Marcelo J. Lopes   +15 more
wiley   +1 more source

Exploitation of Complex Abelian Point Groups in Quantum-Chemical Calculations. [PDF]

J Phys Chem A
Kitsaras MP, Stopkowicz S.
europepmc   +1 more source

Trapping of Ag⁺ into a Perfect Six-Coordinated Environment: Structural Analysis, Quantum Chemical Calculations and Electrochemistry. [PDF]

Molecules, 2022
Komlyagina VI, Romashev NF, Kokovkin VV, Gushchin AL, Benassi E, Sokolov MN, Abramov PA.   +6 more
europepmc   +1 more source

Switching Superconductivity with Uniaxial Strain in a high‐Tc${\rm T}_{c}$ Cuprate Superconductor

Advanced Functional Materials, EarlyView.
Uniaxial strain is demonstrated as a new scheme for a superconductivity switch. Exploiting the large strain‐induced Tc shift in a cuprate superconductor enables robust switching between superconducting and normal states over 100 cycles with only 0.1% strain.
Baizhi Gao, Qianli Ma, Bruce D. Gaulin, Young‐June Kim   +3 more
wiley   +1 more source

Machine Learning Approach to Estimating Wall-Clock Times and Assigning Resources for a Wide Variety of Quantum Chemical Calculations. [PDF]

ACS Omega
Bennett MC, Watson MA, Bochevarov AD.
europepmc   +1 more source

Quantum Chemical Calculations to Trace Back Reaction Paths for the Prediction of Reactants. [PDF]

JACS Au, 2022
Sumiya Y, Harabuchi Y, Nagata Y, Maeda S.   +3 more
europepmc   +1 more source

Exceptional Electro‐Optic Coefficient Unlocked via Polarization Swaying in KNbO3 Thin Films

Advanced Functional Materials, EarlyView.
We present the largest reported electro‐optic response in any material to date, guided by a new design principle that exploits ultralow coercive field polarization swaying enabled by low‐symmetry ferroelectric phases in monoclinic KNbO3 thin films for energy‐efficient classical and quantum photonic integrated circuits. ABSTRACT The electro‐optic effect
Sankalpa Hazra, Aiden Ross, Brynn Brower, Tobias Schwaigert, Ian Reed Philippi, Albert Suceava, Himirkanti Sarkar, Muhammed Aminul Haque Chowdhury, Suchismita Sarker, Darrell G. Schlom, Long‐Qing Chen, Venkatraman Gopalan   +11 more
wiley   +1 more source

Synthesis and quantum chemical calculations of 2,4-dioxopentanoic acid derivatives-Part II

, 2017
The 2,4-dioxopentanoic acid derivatives (3d-f) wereobtained from the reaction of 4-acetyl-5-(1-naphthyl)furan-2,3-dione (1) with various nitrogenous nucleophiles (2d-f). Thestructures of these newly synthesized compounds (3d-f) weredetermined from the FT-
KÖKBUDAK, ZÜLBİYE, Özalp, Ayhan, KANDEMİRLİ, FATMA, SARAÇOĞLU, MURAT   +3 more
core   +1 more source

Solvent effects on the radical scavenging activity of HP-136 benzofuranone: mechanistic and kinetic insights from quantum chemical calculations. [PDF]

RSC Adv
Manh TD, My VT, Ngoc Diep VH, Le Bich Tram T, Van Bay M, Diep TT, Trung NQ, Mechler A, Vo QV.   +8 more
europepmc   +1 more source

Quantum chemical calculations of nicotine and caffeine molecule in gas phase and solvent using DFT methods. [PDF]

Heliyon, 2022
Rijal R, Sah M, Lamichhane HP, Mallik HS.   +3 more
europepmc   +1 more source