Assessment of atomic chrge models for gas-phase computations on polypeptides

Toon Verstraelen; Ewald Pauwels; Frank De Proft; V. Van Speybroeck; Paul Geerlings; M. Waroquier

Assessment of atomic chrge models for gas-phase computations on polypeptides

Toon Verstraelen, Ewald Pauwels, Frank De Proft, V. Van Speybroeck, Paul Geerlings, M. Waroquier

Research output: Contribution to journal › Article › peer-review

60 Citations (Scopus)

Abstract

Assessment of atomic chrge models for gas-phase computations on polypeptides

Original language	English
Pages (from-to)	661-676
Number of pages	16
Journal	Journal of Chemical Theory and Computation
Volume	8
Publication status	Published - 1 Jan 2012

Keywords

Assessment of atomic charge models for gas-phase

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title = "Assessment of atomic chrge models for gas-phase computations on polypeptides",

abstract = "Assessment of atomic chrge models for gas-phase computations on polypeptides",

keywords = "Assessment of atomic charge models for gas-phase",

author = "Toon Verstraelen and Ewald Pauwels and {De Proft}, Frank and {Van Speybroeck}, V. and Paul Geerlings and M. Waroquier",

year = "2012",

month = jan,

day = "1",

language = "English",

volume = "8",

pages = "661--676",

journal = "Journal of Chemical Theory and Computation",

issn = "1549-9618",

publisher = "American Chemical Society",

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TY - JOUR

T1 - Assessment of atomic chrge models for gas-phase computations on polypeptides

AU - Verstraelen, Toon

AU - Pauwels, Ewald

AU - De Proft, Frank

AU - Van Speybroeck, V.

AU - Geerlings, Paul

AU - Waroquier, M.

PY - 2012/1/1

Y1 - 2012/1/1

N2 - Assessment of atomic chrge models for gas-phase computations on polypeptides

AB - Assessment of atomic chrge models for gas-phase computations on polypeptides

KW - Assessment of atomic charge models for gas-phase

M3 - Article

VL - 8

SP - 661

EP - 676

JO - Journal of Chemical Theory and Computation

JF - Journal of Chemical Theory and Computation

SN - 1549-9618

ER -

Assessment of atomic chrge models for gas-phase computations on polypeptides

Abstract

Keywords

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