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type: Database
acceptance date: 2018-03-20
author info: AuthorInfo
  affiliation: http://id.e-science.pl/vocab/unit/1
  author: http://id.e-science.pl/vocab/person/2022
  position: 1
collection: http://id.e-science.pl/vocab/collection/1
collection: http://id.e-science.pl/vocab/collection/9
comment: Struktura pliku wejściowego została omówiona w dokumencie: \nwl_elektryczne_DFT_input.pdf\nPlik wyjściowy został omówiony w dokumencie: \nwl_elektryczne_DFT_output.pdf\nAbstrakt graficzny znajduje się w pliku:\nabstrakt_wl_elektryczne.png
creation year: 2018
description: Baza danych zawiera pliki wejściowe do obliczeń właściwości elektrycznych molekuł w próżni i w ograniczającym potencjale oscylatora harmonicznego o symetrii cylindrycznej przy użyciu programu Gaussian i metod DFT. Dodatkowo w bazie znajduje się opis struktury pliku wejściowego oraz najważniejszych sekcji pliku wyjściowego.
destination group: naukowcy
destination group: nauczyciele
destination group: studenci
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harmful content: false
language: Polski
number of records: 156
place of creation: Politechnika Wrocławska
scientific discipline: dziedzina nauk chemicznych (2011)
software: Gaussian
title: Elektryczne właściwości molekuł w próżni i w cylindrycznym potencjale ograniczającym obliczone z użyciem metod DFT - Gaussian

RelatedLinkInfo
name: Informacje na temat słów kluczowych dostępnych w programie Gaussian
uri: http://gaussian.com

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name: (hiper)polaryzowalność molekularna
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name: CC BY-SA 4.0
uri: https://creativecommons.org/licenses/by-sa/4.0/legalcode.pl

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name: hiperpolaryzowalność
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name: ograniczenie przestrzenne
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name: (hiper)polaryzowalności molekularne
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name: właściwości elektryczne
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name: DFT obliczenia
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