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1 . Academic Journal
Prediction of anharmonic, condensed-phase IR spectra using a composite approach: Discrete encapsulated chloride hydrates
저자
by
Wonanke, A. D. Dinga
;
Crittenden, Deborah L.
.
소스
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Journal of Molecular Spectroscopy
May-June 2022 387
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4 . Academic Journal
Embracing chemical and structural diversity with UCONGA: A universal conformer generation and analysis program
저자
by
Gunby, Nathaniel R.
;
Masters, Sarah L.
;
Crittenden, Deborah L.
.
소스
In
Journal of Molecular Graphics and Modelling
October 2017 77:286-294
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5 . Academic Journal
PyVCI: A flexible open-source code for calculating accurate molecular infrared spectra
저자
by
Sibaev, Marat
;
Crittenden, Deborah L.
.
소스
In
Computer Physics Communications
June 2016 203:290-297
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4 . Academic Journal
DeltaPCA: A statistically robust method for analysing surface-enhanced Raman spectra for quantitative analyte detection
저자
by
Given, Fiona M.
;
Stanborough, Tamsyn
;
Waterland, Mark R.
;
Crittenden, Deborah L.
.
소스
In
Vibrational Spectroscopy
July 2022 121
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6 . Academic Journal
New atoms-in-molecules dispersion models for use in ab initio derived force fields.
저자
by
Welsh, Ivan D.
;
Crittenden, Deborah L.
.
소스
Journal of Chemical Physics
. 3/7/2021, Vol. 154 Issue 9, p1-8. 8p.
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4 . Academic Journal
Simple, accurate, adjustable-parameter-free prediction of NMR shifts for molecules in solution.
저자
by
Hoyt, Emlyn M.
;
Smith, Lachlan O.
;
Crittenden, Deborah L.
.
소스
Physical Chemistry Chemical Physics (PCCP); 4/14/2023, Vol. 25 Issue 14, p9952-9957, 6p
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5 . Academic Journal
Acid‐Base Chemistry Provides a Simple and Cost‐Effective Route to New Redox‐Active Ionic Liquids.
저자
by
Smith, Lachlan O.
;
Crittenden, Deborah L.
.
소스
Chemistry - An Asian Journal
. Mar2023, Vol. 18 Issue 5, p1-8. 8p.
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4 . Academic Journal
Enantiomers of cis-constrained and flexible 2-substituted GABA analogues exert opposite effects at recombinant GABA C receptors
저자
by
Crittenden, Deborah L.
;
Park, Anna
;
Qiu, Jian
;
Silverman, Richard B.
;
Duke, Rujee K.
, et al.
소스
In
Bioorganic & Medicinal Chemistry
2006 14(2):447-455
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7 . Academic Journal
The structure of His‐tagged Geobacillus stearothermophilus purine nucleoside phosphorylase reveals a 'spanner in the works'.
저자
by
Given, Fiona M.
;
Moran, Fuchsia
;
Johns, Ashleigh S.
;
Titterington, James A.
;
Allison, Timothy M.
, et al.
소스
Acta Crystallographica: Section F, Structural Biology Communications
. Dec2022, Vol. 78 Issue 12, p416-422. 7p.
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7 . Academic Journal
A new double-reference correction scheme for accurate and efficient computation of NMR chemical shieldings.
저자
by
Crittenden, Deborah L.
.
소스
Physical Chemistry Chemical Physics (PCCP); 11/28/2022, Vol. 24 Issue 44, p27055-27063, 9p
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