Failure of Molecular Dynamics to Provide Appropriate Structures for Quantum Mechanical Description of the Aqueous Chloride Ion Charge-Transfer-to-Solvent Ultraviolet Spectrum

2021 ◽  
Author(s):  
Daniel Chipman ◽  
Timothy W Marin ◽  
Ireneusz Janik ◽  
D Bartels
Keyword(s):  
Molecular Dynamics ◽  
Absorption Spectrum ◽  
Charge Transfer ◽  
Chloride Ion ◽  
Ultraviolet Spectrum ◽  
Quantum Mechanical ◽  
Ultraviolet Absorption Spectrum ◽  
Mechanical Description ◽  
Quantum Mechanical Description ◽  
Aqueous Chloride

The lowest band in the experimental charge-transfer-to-solvent ultraviolet absorption spectrum of aqueous chloride ion is studied by experiment and computation. Interestingly, the experiments indicate that at concentrations up to at...

Operators and meaning of wave function

2016 ◽  
pp. 4039-4042
Author(s):  
Viliam Malcher
Keyword(s):  
Wave Function ◽  
Quantum Theory ◽  
State Vector ◽  
The State ◽  
Physical Significance ◽  
Central Problem ◽  
Quantum Mechanical ◽  
Mechanical Description ◽  
Quantum Mechanical Description ◽  
Interpretation Of Quantum Theory

The interpretation problems of quantum theory are considered. In the formalism of quantum theory the possible states of a system are described by a state vector. The state vector, which will be represented as |ψ> in Dirac notation, is the most general form of the quantum mechanical description. The central problem of the interpretation of quantum theory is to explain the physical significance of the |ψ>. In this paper we have shown that one of the best way to make of interpretation of wave function is to take the wave function as an operator.

Kinetics and structural aspects of the cisplatin interactions with guanine: A quantum mechanical description

2006 ◽  
Vol 106 (9) ◽  
pp. 2129-2144 ◽  
Author(s):  
Luiz Antônio S. Costa ◽  
Trevor W. Hambley ◽  
Willian R. Rocha ◽  
Wagner B. De Almeida ◽  
Hélio F. Dos Santos
Keyword(s):  
Quantum Mechanical ◽  
Mechanical Description ◽  
Quantum Mechanical Description ◽  
Structural Aspects

scholarly journals A quantum mechanical description of the experiment on the observation of gravitationally bound states

2007 ◽  
Vol 51 (2) ◽  
pp. 367-375 ◽  
Author(s):  
A. Westphal ◽  
H. Abele ◽  
S. Baeßler ◽  
V.V. Nesvizhevsky ◽  
K.V. Protasov ◽  
...  
Keyword(s):  
Bound States ◽  
Quantum Mechanical ◽  
Mechanical Description ◽  
Quantum Mechanical Description
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