Results 161 to 170 of about 4,210,866 (206)
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2008
Abstract This chapter discusses potential energy surfaces, that is, the electronic energy as a function of the internuclear coordinates as obtained from the electronic Schrödinger equation. It focuses on the general topology of such energy surfaces for unimolecular and bimolecular reactions.
Niels E. Henriksen, Flemming Y. Hansen
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Abstract This chapter discusses potential energy surfaces, that is, the electronic energy as a function of the internuclear coordinates as obtained from the electronic Schrödinger equation. It focuses on the general topology of such energy surfaces for unimolecular and bimolecular reactions.
Niels E. Henriksen, Flemming Y. Hansen
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1987
An accurate description of the structural and vibrational properties of small clusters can be achieved only through a detailed examination of multi¬dimensional total energy surfaces. The importance of various properties of such a surface are illustrated for pure alcohol clusters and for alkali halide fragments dissolved in alcohol clusters.
T. P. Martin, T. Bergmann, B. Wassermann
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An accurate description of the structural and vibrational properties of small clusters can be achieved only through a detailed examination of multi¬dimensional total energy surfaces. The importance of various properties of such a surface are illustrated for pure alcohol clusters and for alkali halide fragments dissolved in alcohol clusters.
T. P. Martin, T. Bergmann, B. Wassermann
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1996
Properties of potential energy surfaces are integral to understanding the dynamics of unimolecular reactions. As discussed in chapter 2, the concept of a potential energy surface arises from the Born-Oppenheimer approximation, which separates electronic motion from vibrational/rotational motion.
Tomas Baer, William L. Hase
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Properties of potential energy surfaces are integral to understanding the dynamics of unimolecular reactions. As discussed in chapter 2, the concept of a potential energy surface arises from the Born-Oppenheimer approximation, which separates electronic motion from vibrational/rotational motion.
Tomas Baer, William L. Hase
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1998
This chapter discusses potential energy surfaces. A prerequisite for calculating a reaction cross-section or rate coefficient is a knowledge of the forces acting on the nuclei. Such information is usually derived from a potential energy function, known as a potential energy surface.
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This chapter discusses potential energy surfaces. A prerequisite for calculating a reaction cross-section or rate coefficient is a knowledge of the forces acting on the nuclei. Such information is usually derived from a potential energy function, known as a potential energy surface.
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Nanofluidics for osmotic energy conversion
Nature Reviews Materials, 2021Zhen Zhang, Liping Wen, Lei Jiang
exaly
Electroceramics for High-Energy Density Capacitors: Current Status and Future Perspectives
Chemical Reviews, 2021ge wang, Zhilun Lu, Linhao Li
exaly
Rechargeable Batteries for Grid Scale Energy Storage
Chemical Reviews, 2022Yang Jin, Yi Cui, Wei Chen
exaly
Designing solid-state electrolytes for safe, energy-dense batteries
Nature Reviews Materials, 2020Qing Zhao, Sanjuna Stalin, Chen-Zi Zhao
exaly