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Distributed multipole analysis

Known as: DMA 
In computational chemistry, distributed multipole analysis (DMA) is a compact and accurate way of describing the spatial distribution of electric… 
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Related topics

Related topics

6 relations
Ab initio quantum chemistry methodsBasis set (chemistry)Crystal structure predictionDensity functional theory

Broader (1)

Computational chemistry

Papers overview

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2017
2017
Electrostatic Potential and a Simple Extended Electric Dipole Model of Hydrogen Fluoride as Probes of Non-Bonding Electron Pairs in the Cyclic Ethers 2,5-Dihydrofuran, Oxetane and Oxirane
The electrostatic potential near to the oxygen atom in each of the cyclic ethers 2,5-dihydrofuran, oxetane and oxirane has been… 
2009
2009
Distributed multipole moments in atomistic force fields. implementation and applications
The accuracy of atomistic force fields depends on the complexity of the interatomic potential function as well as on the… 
2007
2007
Nonadiabatic MD simulations of IBr$^{-}$(CO$_{2}$)$_{n}$ photodissociation
Submitted for the MAR07 Meeting of The American Physical Society Nonadiabatic MD simulations of IBr−(CO2)n photodissociation… 
2002
2002
MECHANICAL AND THERMAL DESIGN OF VACUUM CHAMBERS FOR A 7 T MULTIPOLE WIGGLER FOR BESSY II
A superconducting 7T wiggler with 17 poles will be installed in the BESSY II SR source. To handle the high radiation power of 56… 
2001
2001
Lower order atomic multipole moments of the oxygen atoms of “small size” H-form aluminosilicate frameworks
1998
1998
Approximations of the Mulliken Charges for the Oxygen and Silicon Atoms of Zeolite Frameworks Calculated with a Periodic Hartree)Fock Scheme
Distributed multipole analysis DMA on the basis of periodic . Hartree)Fock PHF calculations, using the CRYSTAL code, is applied… 
1995
1995
High resolution infrared spectroscopy of jet-cooled molecules
 The development and implementation of a high resolution, direct absorption, rapidscanning infrared diode laser spectrometer… 
1990
1990
THE ACETYLENE-SULFUR DIOXIDE VAN DER WAALS COMPLEX
Author Institution: Department of Chemistry, University College London; Department of Chemistry, University of Michigan… 
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