An approach to develop chemical intuition for atomistic electron transport calculations using basis set rotations

Anders Christian Borges, Gemma C. Solomon

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@article{03797239c54947759810a5ba0b5b6c60,

title = "An approach to develop chemical intuition for atomistic electron transport calculations using basis set rotations",

author = "Borges, {Anders Christian} and Solomon, {Gemma C.}",

year = "2016",

month = may,

day = "21",

doi = "10.1063/1.4950828",

language = "English",

volume = "144",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "19",

}

TY - JOUR

T1 - An approach to develop chemical intuition for atomistic electron transport calculations using basis set rotations

AU - Borges, Anders Christian

AU - Solomon, Gemma C.

PY - 2016/5/21

Y1 - 2016/5/21

U2 - 10.1063/1.4950828

DO - 10.1063/1.4950828

M3 - Journal article

C2 - 27208940

SN - 0021-9606

VL - 144

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 19

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