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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 107, 2009 - Issue 8-12: A Special Issue in Honour of Professor Henry F. Schaefer
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Invited Articles

Conformers of gaseous threonine

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Pages 761-775 | Received 16 Oct 2008, Accepted 07 Nov 2008, Published online: 07 Oct 2010

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Tim Softley$suffix/text()$suffix/text(). (2009) A new series of invited review articles. Molecular Physics 107:23-24, pages 2433-2433.
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David Ferro-Costas, Irea Mosquera-Lois & Antonio Fernández-Ramos. (2021) TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acids. Journal of Cheminformatics 13:1.
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András B. Nacsa & Gábor Czakó. (2021) Benchmark ab initio proton affinity of glycine . Physical Chemistry Chemical Physics 23:16, pages 9663-9671.
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Giordano Mancini, Marco Fusè, Federico Lazzari, Balasubramanian Chandramouli & Vincenzo Barone. (2020) Unsupervised search of low-lying conformers with spectroscopic accuracy: A two-step algorithm rooted into the island model evolutionary algorithm. The Journal of Chemical Physics 153:12, pages 124110.
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Erik M. Orján, András B. Nacsa & Gábor Czakó. (2020) Conformers of dehydrogenated glycine isomers. Journal of Computational Chemistry 41:22, pages 2001-2014.
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Pankaj Dubey, Anamika Mukhopadhyay & K.S. Viswanathan. (2019) Do amino acids prefer only certain backbone structures? Steering through the conformational maze of l-threonine using matrix isolation infrared spectroscopy and ab initio studies. Journal of Molecular Structure 1175, pages 117-129.
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Namrata Rani & Vikas. (2018) Mechanism and Kinetics of the Gas-Phase Stereoinversion in Proteinogenic l -Threonine and Its Astrophysical Relevance . The Journal of Physical Chemistry A 122:38, pages 7572-7586.
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Kedan He & Wesley D. Allen. (2016) Conformers of Gaseous Serine. Journal of Chemical Theory and Computation 12:8, pages 3571-3582.
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Marijana Marković, Michael Ramek, Claudia Loher & Jasmina Sabolović. (2016) The Important Role of the Hydroxyl Group on the Conformational Adaptability in Bis( l- threoninato)copper(II) Compared to Bis( l- allo -threoninato)copper(II): Quantum Chemical Study . Inorganic Chemistry 55:15, pages 7694-7708.
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Manoj K. Kesharwani, Amir Karton & Jan M. L. Martin. (2015) Benchmark ab Initio Conformational Energies for the Proteinogenic Amino Acids through Explicitly Correlated Methods. Assessment of Density Functional Methods . Journal of Chemical Theory and Computation 12:1, pages 444-454.
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S. Mandal & G. Das. (2016) Gas phase conformational behavior of selenomethionine: A computational elucidation. Journal of Structural Chemistry 56:7, pages 1235-1245.
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Gunajyoti Das & Shilpi Mandal. (2015) Dipeptides containing N-terminal threonine residues: quantum chemical structural studies on nonionic, zwitterionic and water-clustered systems. Structural Chemistry 26:4, pages 1025-1037.
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Gunajyoti Das. (2014) Rotational aspects of non-ionized creatine in the gas phase. Monatshefte für Chemie - Chemical Monthly 145:9, pages 1431-1441.
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Amir Karton, Li-Juan Yu, Manoj K. Kesharwani & Jan M. L. Martin. (2014) Heats of formation of the amino acids re-examined by means of W1-F12 and W2-F12 theories. Theoretical Chemistry Accounts 133:6.
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Olga V. Dorofeeva & Oxana N. Ryzhova. (2014) Gas-Phase Enthalpies of Formation and Enthalpies of Sublimation of Amino Acids Based on Isodesmic Reaction Calculations. The Journal of Physical Chemistry A 118:19, pages 3490-3502.
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Paulo J. Amorim Madeira, Pedro D. Vaz, R. J. N. Bettencourt da Silva & M. Helena Florêncio. (2013) Can Semi-empirical Calculations Help Solve Mass Spectrometry Problems? Protonation Sites and Proton Affinities of Amino Acids. ChemPlusChem 78:9, pages 1149-1156.
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Guy Bouchoux. (2012) Gas phase basicities of polyfunctional molecules. Part 3: Amino acids. Mass Spectrometry Reviews 31:3, pages 391-435.
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Dóra Barna, Balázs Nagy, József Csontos, Attila G. Császár & Gyula Tasi. (2012) Benchmarking Experimental and Computational Thermochemical Data: A Case Study of the Butane Conformers. Journal of Chemical Theory and Computation 8:2, pages 479-486.
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Balázs Hajgató, Matija Huzak & Michael S. Deleuze. (2011) Focal Point Analysis of the Singlet–Triplet Energy Gap of Octacene and Larger Acenes. The Journal of Physical Chemistry A 115:33, pages 9282-9293.
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Roman M. Balabin. (2011) Conformational equilibrium in alanine: Focal-point analysis and ab initio limit. Computational and Theoretical Chemistry 965:1, pages 15-21.
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Vanessa Riffet, Gilles Frison & Guy Bouchoux. (2011) Acid?base thermochemistry of gaseous oxygen and sulfur substituted amino acids (Ser, Thr, Cys, Met). Physical Chemistry Chemical Physics 13:41, pages 18561.
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Xuee Xu & Zijing Lin. (2010) Comprehensive ab initio study on the conformations of L-Threonine and L-allo-Threonine and related species in gas phase. Journal of Molecular Structure: THEOCHEM 962:1-3, pages 23-32.
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Heather M. Jaeger, Henry F. SchaeferIIIIII, Jean Demaison, Attila G. Császár & Wesley D. Allen. (2010) Lowest-Lying Conformers of Alanine: Pushing Theory to Ascertain Precise Energetics and Semiexperimental R e Structures . Journal of Chemical Theory and Computation 6:10, pages 3066-3078.
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Jan Cz. Dobrowolski, Michał H. Jamróz, Robert Kołos, Joanna E. Rode, Michał K. Cyrański & Joanna Sadlej. (2010) IR low-temperature matrix, X-ray and ab initio study on l-isoserine conformations. Physical Chemistry Chemical Physics 12:36, pages 10818.
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B. Hajgató, D. Szieberth, P. Geerlings, F. De Proft & M. S. Deleuze. (2009) A benchmark theoretical study of the electronic ground state and of the singlet-triplet split of benzene and linear acenes. The Journal of Chemical Physics 131:22.
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Jeremiah J. Wilke, Maria C. Lind, Henry F. SchaeferIIIIII, Attila G. Császár & Wesley D. Allen. (2009) Conformers of Gaseous Cysteine. Journal of Chemical Theory and Computation 5:6, pages 1511-1523.
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