Results 231 to 240 of about 8,643,122 (251)

A NEMO potential that includes the dipole–quadrupole and quadrupole–quadrupole polarizability

Journal of Computational Chemistry, 2010
To increase the accuracy of molecular force fields a systematical and balanced improvement of the various terms included is needed. In this work, we have followed this strategy to improve the quality of the NEMO potential for the formaldehyde dimer by ...
Roland Lindh, Gunnar Karlström
exaly   +2 more sources

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The quadrupole moment of the H2 molecule

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L Wolniewicz, J D Poll
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