Subject: 541.28 - British Library Electronic Legal Deposit Catalogue-Journal Issues and Articles Search Results

Subject 541.28

2911. Uncatalyzed peptide bond formation between two double amino acid molecules in the gas phase. Issue 21 (6th July 2017)

Authors:: Czapla, Marcin; Freza, Sylwia
Journal:: International journal of quantum chemistry
Issue:: Volume 117:Issue 21(2017)
Page Start:: n/a
Record Type:: Journal Article
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2912. Uncertainty quantification in theoretical spectroscopy: The structural sensitivity of X‐ray emission spectra. Issue 2 (26th August 2017)

Authors:: Oung, Sangwar Wadtey; Rudolph, Julian; Jacob, Christoph R.
Journal:: International journal of quantum chemistry
Issue:: Volume 118:Issue 2(2018)
Page Start:: n/a
Record Type:: Journal Article
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2913. Uncertainty quantification in thermochemistry, benchmarking electronic structure computations, and Active Thermochemical Tables. Issue 17 (11th January 2014)

Authors:: Ruscic, Branko; Brändas, Erkki; Szabados, Ágnes; Surján, Péter
Journal:: International journal of quantum chemistry
Issue:: Volume 114:Issue 17(2014:Sep. 05)
Page Start:: 1097
Record Type:: Journal Article
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2914. Uncommonly accurate energies for the general quartic oscillator. Issue 7 (19th December 2020)

Authors:: Okun, Pavel; Burke, Kieron
Journal:: International journal of quantum chemistry
Issue:: Volume 121:Issue 7(2021)
Page Start:: n/a
Record Type:: Journal Article
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2915. Uncontracted basis sets for ab initio calculations of muonic atoms and molecules. Issue 21 (4th September 2018)

Authors:: Ugandi, Mihkel; Fdez. Galván, Ignacio; Widmark, Per‐Olof; Lindh, Roland
Journal:: International journal of quantum chemistry
Issue:: Volume 118:Issue 21(2018)
Page Start:: n/a
Record Type:: Journal Article
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2916. Uncontracted core Pople basis sets in vibrational frequency calculations. Issue 22 (1st October 2018)

Authors:: Hanson‐Heine, Magnus W. D.
Journal:: International journal of quantum chemistry
Issue:: Volume 118:Issue 22(2018)
Page Start:: n/a
Record Type:: Journal Article
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2917. Undergraduate women empowering women in computational chemistry: Three perspectives. Issue 20 (25th June 2020)

Authors:: Evans, Rebecca; Perchik, Madison; Magee, Caroline; Cafiero, Mauricio
Other Names:: Shields George guestEditor.
Journal:: International journal of quantum chemistry
Issue:: Volume 120:Issue 20(2020)
Page Start:: n/a
Record Type:: Journal Article
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2918. Understanding kernel ridge regression: Common behaviors from simple functions to density functionals. Issue 16 (26th May 2015)

Authors:: Vu, Kevin; Snyder, John C.; Li, Li; Rupp, Matthias; Chen, Brandon F.; Khelif, Tarek; Müller, Klaus‐Robert; Burke, Kieron; Rupp, Matthias
Journal:: International journal of quantum chemistry
Issue:: Volume 115:Issue 16(2015:Aug. 19)
Page Start:: 1115
Record Type:: Journal Article
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2919. Understanding machine‐learned density functionals. Issue 11 (17th November 2015)

Authors:: Li, Li; Snyder, John C.; Pelaschier, Isabelle M.; Huang, Jessica; Niranjan, Uma‐Naresh; Duncan, Paul; Rupp, Matthias; Müller, Klaus‐Robert; Burke, Kieron
Other Names:: Nagy Ágnes guestEditor.
Journal:: International journal of quantum chemistry
Issue:: Volume 116:Issue 11(2016)
Page Start:: 819
Record Type:: Journal Article
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2920. Understanding proton transfer in non‐aqueous biopolymers based on helical peptides: A quantum mechanical study. Issue 19 (21st June 2022)

Authors:: Bian, Jiang; Cruz, Anthony; López‐Morales, Gabriel; Kyrylenko, Anton; McGregor, Donna; López, Gustavo E.
Journal:: International journal of quantum chemistry
Issue:: Volume 122:Issue 19(2022)
Page Start:: n/a
Record Type:: Journal Article
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