Electric field gradients of water: A systematic investigation of basis set, electron correlation, and rovibrational effects

Lars Olsen, Ove Christiansen, Lars Hemmingsen, Stephan P. A. Sauer, Kurt Valentin Mikkelsen

18 Citations (Scopus)

Abstract

Udgivelsesdato: 2

@article{9f1b2fe074c511dbbee902004c4f4f50,

title = "Electric field gradients of water: A systematic investigation of basis set, electron correlation, and rovibrational effects",

abstract = "Udgivelsesdato: 2",

author = "Lars Olsen and Ove Christiansen and Lars Hemmingsen and Sauer, {Stephan P. A.} and Mikkelsen, {Kurt Valentin}",

year = "2002",

doi = "10.1063/1.1428340",

language = "English",

volume = "116",

pages = "1424--1434",

journal = "The Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

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TY - JOUR

T1 - Electric field gradients of water: A systematic investigation of basis set, electron correlation, and rovibrational effects

AU - Olsen, Lars

AU - Christiansen, Ove

AU - Hemmingsen, Lars

AU - Sauer, Stephan P. A.

AU - Mikkelsen, Kurt Valentin

PY - 2002

Y1 - 2002

N2 - Udgivelsesdato: 2

AB - Udgivelsesdato: 2

U2 - 10.1063/1.1428340

DO - 10.1063/1.1428340

M3 - Journal article

SN - 0021-9606

VL - 116

SP - 1424

EP - 1434

JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

ER -