Results 291 to 300 of about 16,880,130 (352)
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Journal of Chemical Education, 1988
Three exam questions, graded in difficulty, that explore the topic of potential energy surfaces to a greater depth than usual.
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Three exam questions, graded in difficulty, that explore the topic of potential energy surfaces to a greater depth than usual.
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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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Role of surface roughness in the wettability, surface energy and flotation kinetics of calcite
, 2020Xianchen Wang, Qin Zhang
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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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A remote sensing surface energy balance algorithm for land (SEBAL)-1. Formulation
, 1998W. Bastiaanssen +3 more
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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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Estimation of the surface free energy of polymers
, 1969D. K. Owens, R. Wendt
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Nanofluidics for osmotic energy conversion
Nature Reviews Materials, 2021, Liping Wen, Lei Jiang
exaly