31 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2018 Urushibara K, Ferrand Y, Liu Z, Masu H, Pophristic V, Tanatani A, Huc I. Frustrated Helicity: Joining the Diverging Ends of a Stable Aromatic Amide Helix to Form a Fluxional Macrocycle. Angewandte Chemie (International Ed. in English). PMID 29655204 DOI: 10.1002/anie.201802159  0.44
2016 Liu Z, Hu X, Abramyan AM, Mészáros Á, Csekei M, Kotschy A, Huc I, Pophristic V. Computational prediction and rationalization, and experimental validation of handedness induction in helical aromatic oligoamide foldamers. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27935190 DOI: 10.1002/chem.201605082  0.44
2015 Abramyan AM, Liu Z, Pophristic V. Helix handedness inversion in arylamide foldamers: elucidation and free energy profile of a hopping mechanism. Chemical Communications (Cambridge, England). PMID 26507120 DOI: 10.1039/c5cc07060k  1
2015 Liu Z, Abramyan AM, Pophristic V. Helical arylamide foldamers: Structure prediction by molecular dynamics simulations New Journal of Chemistry. 39: 3229-3240. DOI: 10.1039/c4nj01925c  1
2014 Abramyan AM, Liu Z, Pophristic V. Mechanistic and dynamic insights into ligand encapsulation by helical arylamide foldamers. Physical Chemistry Chemical Physics : Pccp. 16: 20406-10. PMID 25155970 DOI: 10.1039/c4cp02839b  1
2013 Galan JF, Tang CN, Chakrabarty S, Liu Z, Moyna G, Pophristic V. Conformational preferences of furan- and thiophene-based arylamides: a combined computational and experimental study. Physical Chemistry Chemical Physics : Pccp. 15: 11883-92. PMID 23765415 DOI: 10.1039/c3cp50353d  1
2013 Abramyan AM, Liu Z, Pophristic V. An ab-initio study of pyrrole and imidazole arylamides Journal of the Serbian Chemical Society. 78: 1789-1795. DOI: 10.2298/JSC130929104A  1
2011 Liu Z, Teslja A, Pophristic V. An ab initio molecular orbital study of intramolecular hydrogen bonding in ortho-substituted arylamides: implications for the parameterization of molecular mechanics force fields. Journal of Computational Chemistry. 32: 1846-58. PMID 21462227 DOI: 10.1002/jcc.21767  1
2009 Galan JF, Brown J, Wildin JL, Liu Z, Liu D, Moyna G, Pophristic V. Intramolecular hydrogen bonding in ortho-substituted arylamide oligomers: a computational and experimental study of ortho-fluoro- and ortho-chloro-N-methylbenzamides. The Journal of Physical Chemistry. B. 113: 12809-15. PMID 19722486 DOI: 10.1021/jp905261p  1
2009 Liu Z, Remsing RC, Liu D, Moyna G, Pophristic V. Hydrogen bonding in ortho-substituted arylamides: the influence of protic solvents. The Journal of Physical Chemistry. B. 113: 7041-4. PMID 19397255 DOI: 10.1021/jp902155j  1
2008 Rao N, Holerca MN, Pophristic V. Computational Study of the Small Zr(IV) Polynuclear Species. Journal of Chemical Theory and Computation. 4: 145-55. PMID 26619988 DOI: 10.1021/ct7001094  1
2007 Rao N, Holerca MN, Klein ML, Pophristic V. Computational study of the Zr4+ tetranuclear polymer, [Zr4(OH)8(H2O)16]8+. The Journal of Physical Chemistry. A. 111: 11395-9. PMID 17944442 DOI: 10.1021/jp0734880  1
2006 Vemparala S, Ivanov I, Pophristic V, Spiegel K, Klein ML. Ab initio calculations of intramolecular parameters for a class of arylamide polymers. Journal of Computational Chemistry. 27: 693-700. PMID 16634095 DOI: 10.1002/jcc.20382  1
2006 Pophristic V, Vemparala S, Ivanov I, Liu Z, Klein ML, DeGrado WF. Controlling the shape and flexibility of arylamides: a combined ab initio, ab initio molecular dynamics, and classical molecular dynamics study. The Journal of Physical Chemistry. B. 110: 3517-26. PMID 16494407 DOI: 10.1021/jp054306+  1
2006 Ivanov I, Vemparala S, Pophristic V, Kuroda K, DeGrado WF, McCammon JA, Klein ML. Characterization of nonbiological antimicrobial polymers in aqueous solution and at water-lipid interfaces from all-atom molecular dynamics. Journal of the American Chemical Society. 128: 1778-9. PMID 16464062 DOI: 10.1021/ja0564665  1
2005 Goodman L, Gu H, Pophristic V. Gauche effect in 1,2-difluoroethane. Hyperconjugation, bent bonds, steric repulsion. The Journal of Physical Chemistry. A. 109: 1223-9. PMID 16833433 DOI: 10.1021/jp046290d  1
2005 Choi S, Clements DJ, Pophristic V, Ivanov I, Vemparala S, Bennett JS, Klein ML, Winkler JD, DeGrado WF. The design and evaluation of heparin-binding foldamers. Angewandte Chemie (International Ed. in English). 44: 6685-9. PMID 16094685 DOI: 10.1002/anie.200501279  1
2004 Pophristic V, Klein ML, Holerca MN. Modeling small aluminum chlorohydrate polymers Journal of Physical Chemistry A. 108: 113-120. DOI: 10.1021/jp0360422  1
2004 Pophristic V, Balagurusamy VSK, Klein ML. Structure and dynamics of the aluminum chlorohydrate polymer Al 13O4(OH)24(H2O)12Cl 7 Physical Chemistry Chemical Physics. 6: 919-923.  1
2003 Pophristic V, Goodman L. Analysis of the gearing-antigearing torsional fundamental energy gap in dimethyl ether Journal of Physical Chemistry A. 107: 3538-3542. DOI: 10.1021/jp022212j  1
2002 Pophristic V, Goodman L, Gorb L, Leszczynski J. Acetone n-radical cation conformational preference and torsional barrier Journal of Chemical Physics. 116: 7049-7056. DOI: 10.1063/1.1463438  1
2002 Pophristic V, Goodman L. Origin of staggered conformational preference in methanol Journal of Physical Chemistry A. 106: 1642-1646. DOI: 10.1021/jp014287d  1
2002 Goodman L, Pophristic V, Wang W. Interplay of intra- and intermolecular H-bonds for the addition of a water molecule to the neutral and n-protonated forms of noradrenaline International Journal of Quantum Chemistry. 90: 641-656. DOI: 10.1002/qua.964  1
2001 Pophristic V, Goodman L. Hyperconjugation not steric repulsion leads to the staggered structure of ethane Nature. 411: 565-568. PMID 11385566 DOI: 10.1038/35079036  1
2001 Pophristic V, Goodman L. Exchange repulsion increases internal rotation floppiness Journal of Chemical Physics. 115: 5132-5136. DOI: 10.1063/1.1389843  1
2001 Pophristic V, Goodman L, Wu CT. Disilane internal rotation Journal of Physical Chemistry A. 105: 7454-7459. DOI: 10.1021/jp011326c  1
2000 Pophristic V, Goodman L. Influence of protonation on internal rotation of dimethyl ether Journal of Physical Chemistry A. 104: 3231-3238.  1
1999 Goodman L, Pophristic V, Weinhold F. Origin of methyl internal rotation barriers Accounts of Chemical Research. 32: 983-993. DOI: 10.1021/ar990069f  1
1999 Goodman L, Gu H, Pophristic V. Flexing analysis of ethane internal rotation energetics Journal of Chemical Physics. 110: 4268-4275.  1
1997 Pophristic V, Goodman L, Guchhait N. Role of lone-pairs in internal rotation barriers Journal of Physical Chemistry A. 101: 4290-4297.  1
1996 Goodman L, Pophristic V. Where does the dimethyl ether internal rotation barrier come from? Chemical Physics Letters. 259: 287-295.  1
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