Results 51 to 60 of about 75,155 (342)
, 2016 Are the special sciences autonomous from physics? Those who say they are need to explain how dependent special science properties could feature in irreducible causal explanations, but that’s no easy task.
Yates, David
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Advanced Functional Materials, EarlyView.Cu‐based catalysts as a cornerstone in advancing sustainable energy technologies are fully reviewed in this manuscript, highlighting their potential in photo‐ and electrocatalysis. It includes metallic copper, copper oxides, copper sulfides, copper halide perovskites, copper‐based metal–organic frameworks (MOFs), and covalent organic frameworks (COFs),
Jéssica C. de Almeida +16 more
wiley +1 more source
Study of Spectroscopy and Thermodynamic Properties for Germanium Tetrafluoride GeF4 Molecular and Study of Potential Energy Curve for Bond (Ge-F) [PDF]
Engineering and Technology Journal, 2011 In This research Complete study Spectroscopic and Thermodynamic properties for molecule GeF4 . This included calculation of potential energy curve .
doaj +1 more source
QC-DMRG study of the ionic--neutral curve crossing of LiF
, 2002 We have studied the ionic--neutral curve crossing between the two lowest ^1 Sigma^+ states of LiF in order to demonstrate the efficiency of the quantum chemistry version of the density matrix renormalization group method (QC-DMRG).
Hess, B. A., Legeza, Ö., Röder, J.
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Advanced Functional Materials, EarlyView.A pore tuning strategy to amplify the multi‐site MOF‐SO2 interactions is proposed to achieve an enhanced trace SO2 capture and chemiresistive sensing in highly stable isostructural DMOFs by annelating benzene rings. This work provides a facile strategy to achieve tailor‐made stable MOF materials for specific multifunctional applications.
Shanghua Xing +9 more
wiley +1 more source
Do Hydrogen Bonds Influence Excitonic Splittings?
CHIMIA, 2016 The excitonic splitting and vibronic quenching of the inversion-symmetric homodimers of benzonitrile, (BN)2, and meta-cyanophenol, (mCP)2, are investigated by two-color resonant two-photon ionization spectroscopy.
Franziska A. Balmer +2 more
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Chemical Physics Impact, 2023 The titled compound TA structure was optimized in B3LYP/cc-pVDZ basis set using Gaussian software. In natural bond orbital analysis the highest stabilization energy is 82.3 kcal/mol, which is confirmed by LP(1)-C19 to antibonding π*(C13-C14).
T. Kaviya +7 more
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Energetics and Dipole Moment of Transition Metal Monoxides by Quantum Monte Carlo
, 2006 The transition metal-oxygen bond appears very prominently throughout chemistry and solid-state physics. Many materials, from biomolecules to ferroelectrics to the components of supernova remnants contain this bond in some form.
Mitas, Lubos, Wagner, Lucas K.
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Experimental determination of dipole moments for molecular ions: Improved measurements for ArH^+ [PDF]
, 1989 An improved value for the dipole moment of ArH^+ has been obtained from new measurements of the rotational g factors of ArH^+ and ArD^+ made with tunable far‐IR laser spectroscopy.
Blake, Geoffrey A. +3 more
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Light‐Controlled Reversible Coassembly of Hybrid Functional Nanostructures
Advanced Functional Materials, EarlyView.Light‐responsive hybrid nanostructures are formed by coassembling azobenzene‐ and PAH‐functionalized nanoparticles through reversible an tunable π interactions. The system enables tunable coupling between distinct components such as gold and magnetite or carbon nanotubes, producing switchable optical and magnetic properties under light and magnetic ...
Michal Sawczyk +5 more
wiley +1 more source