Vojislava Pophristic

发表

Conformational preferences of furan- and thiophene-based arylamides: a combined computational and experimental study.

J. Galan, Zhiwei Liu, Shubhashis Chakrabarty, 2013, Physical chemistry chemical physics : PCCP.

Flexing analysis of ethane internal rotation energetics

L. Goodman, Vojislava Pophristic, Hongbing Gu, 1999 .

Role of Lone-Pairs in Internal Rotation Barriers

N. Guchhait, L. Goodman, Vojislava Pophristic, 1997 .

Where does the dimethyl ether internal rotation barrier come from

L. Goodman, Vojislava Pophristic, 1996 .

Computational Prediction and Rationalization, and Experimental Validation of Handedness Induction in Helical Aromatic Oligoamide Foldamers.

Ara M. Abramyan, Xiaobo Hu, I. Huc, 2017, Chemistry.

Helix handedness inversion in arylamide foldamers: elucidation and free energy profile of a hopping mechanism.

Ara M. Abramyan, Zhiwei Liu, Vojislava Pophristic, 2016, Chemical communications.

Gauche effect in 1,2-difluoroethane. Hyperconjugation, bent bonds, steric repulsion.

L. Goodman, Vojislava Pophristic, Hongbing Gu, 2005, The journal of physical chemistry. A.

Intramolecular hydrogen bonding in ortho-substituted arylamide oligomers: a computational and experimental study of ortho-fluoro- and ortho-chloro-N-methylbenzamides.

J. Galan, Dahui Liu, Zhiwei Liu, 2009, The journal of physical chemistry. B.

Characterization of nonbiological antimicrobial polymers in aqueous solution and at water-lipid interfaces from all-atom molecular dynamics.

M. Klein, J. Mccammon, W. DeGrado, 2006, Journal of the American Chemical Society.

Ab initio calculations of intramolecular parameters for a class of arylamide polymers

Ivaylo Ivanov, Satyavani Vemparala, Michael L. Klein, 2006, J. Comput. Chem..

Rotational Barriers: Barrier Origins

L. Goodman, Vojislava Pophristic, 2002 .

Computational Study of the Small Zr(IV) Polynuclear Species.

M. Holerca, Vojislava Pophristic, Niny Z. Rao, 2008, Journal of chemical theory and computation.

Mechanistic and dynamic insights into ligand encapsulation by helical arylamide foldamers.

Ara M. Abramyan, Zhiwei Liu, Vojislava Pophristic, 2014, Physical chemistry chemical physics : PCCP.

Frustrated Helicity: Joining the Diverging Ends of a Stable Aromatic Amide Helix to Form a Fluxional Macrocycle.

I. Huc, H. Masu, Y. Ferrand, 2018, Angewandte Chemie.

Accessing Improbable Foldamer Shapes with Strained Macrocycles

I. Huc, Y. Ferrand, M. Kawahata, 2021, Chemistry.

Titelbild: The Design and Evaluation of Heparin-Binding Foldamers (Angew. Chem. 41/2005)

M. Klein, W. DeGrado, J. Winkler, 2005 .

The design and evaluation of heparin-binding foldamers.

M. Klein, W. DeGrado, J. Winkler, 2005, Angewandte Chemie.

An ab initio molecular orbital study of intramolecular hydrogen bonding in ortho‐substituted arylamides: Implications for the parameterization of molecular mechanics force fields

Zhiwei Liu, Alexey Teslja, Vojislava Pophristic, 2011, J. Comput. Chem..

Helical arylamide foldamers: structure prediction by molecular dynamics simulations

Ara M. Abramyan, Zhiwei Liu, Vojislava Pophristic, 2015 .

Ethane-Preferred Conformation

L. Goodman, Vojislava Pophristic, 2014 .

Exchange repulsion increases internal rotation floppiness

L. Goodman, Vojislava Pophristic, 2001 .

Hyperconjugation not steric repulsion leads to the staggered structure of ethane

Lionel Goodman, Vojislava Pophristic, L. Goodman, 2001, Nature.

Origin of Methyl Internal Rotation Barriers

Frank Weinhold, Lionel Goodman, Vojislava Pophristic, 1999 .

Acetone n-radical cation conformational preference and torsional barrier

J. Leszczynski, L. Goodman, L. Gorb, 2002 .

Computational study of the Zr4+ tetranuclear polymer, [Zr4(OH)8(H2O)16]8+.

M. Klein, M. Holerca, Vojislava Pophristic, 2007, The journal of physical chemistry. A.

Does digermane exhibit free rotation? A test of barrier theory

L. Goodman, Vojislava Pophristic, Windy Wang, 2002 .

Controlling the shape and flexibility of arylamides: a combined ab initio, ab initio molecular dynamics, and classical molecular dynamics study.

M. Klein, W. DeGrado, Zhiwei Liu, 2006, The journal of physical chemistry. B.

Disilane Internal Rotation

L. Goodman, Vojislava Pophristic, Cheryl T. Wu, 2001 .