Constructing Potential Energy Surfaces for Polyatomic Systems: Recent Progress and New Problems

<table>QCT reaction cross-section (<svg height="19.200001" id="M183" style="vertical-align:-4.35121pt" version="1.1" viewbox="0 0 14.0625 19.200001" width="14.0625" xmlns="http://www.w3.org/2000/svg">
<g transform="matrix(1.25,0,0,-1.25,0,19.2)">
<g transform="translate(72,-56.64)">
<text transform="matrix(1,0,0,-1,-71.95,61.03)">
<tspan style="font-size: 12.50px; " x="0" y="0">𝑎</tspan>
</text>
<text transform="matrix(1,0,0,-1,-65.67,66.03)">
<tspan style="font-size: 8.75px; " x="0" y="0">2</tspan>
<tspan style="font-size: 8.75px; " x="0" y="9.21">0</tspan>
</text>
</g>
</g>
</svg>) versus the collision energy (kcal mol<sup>−1</sup>) for the H + NH<sub>3</sub> → H<sub>2</sub> + NH<sub>2</sub> reaction computed using the analytical EC-2009 (solid line) and interpolated MC (dashed line) surfaces.</table>

Advances in Physical Chemistry

fig6

Figure 6

Figure 6: Constructing Potential Energy Surfaces for Polyatomic Systems: Recent Progress and New Problems 