D. Setiadi

发表

A Hartree–Fock, MP2 and DFT computational study of the structures and energies of ″b2 ions derived from deprotonated peptides. A comparison of method and basis set used on relative product stabilities

I. Csizmadia, A. G. Harrison, G. Chass, 2004 .

Disulfidicity: A scale to characterize the disulfide bond strength via the hydrogenation thermodynamics

B. Viskolcz, I. Csizmadia, S. Jensen, 2012 .

Exploratory study on the full conformation space of α-tocopherol and its selected congeners

B. Penke, I. Csizmadia, G. Chass, 2003 .

Towards the rational design of palladium-N-heterocyclic carbene catalysts by a combined experimental and computational approach

G. Chass, D. Fang, A. C. Hopkinson, 2005 .

A computational study of glutathione and its fragments: N-acetylcisteinylglycine and γ-glutamylmethylamide

B. Viskolcz, I. Csizmadia, B. Jójárt, 2011 .

Vitamin E models. Conformational analysis and stereochemistry of tetralin, chroman, thiochroman and selenochroman

J. Papp, A. Varró, G. Chass, 2002 .

Theoretical investigation of the conformational intricacies and thermodynamic functions of noradrenaline

B. Viskolcz, I. Csizmadia, Donghoon M. Lee, 2011 .

Thermodynamic functions of molecular conformations of (2-fluoro-2-phenyl-1-ethyl)ammonium ion and (2-hydroxy-2-phenyl-1-ethyl)ammonium ion as models for protonated noradrenaline and adrenaline: first-principles computational study of conformations and thermodynamic functions for the noradrenaline an

B. Viskolcz, I. Csizmadia, Z. Mucsi, 2009, The journal of physical chemistry. A.

Vitamin E models. Shortened sidechain models of α, β, γ and δ tocopherol and tocotrienol—a density functional study

J. Papp, A. Varró, G. Chass, 2003 .

Molecular orbital computations on lipids : An ab initio exploratory study on the conformations of glycerol and its fluorine congeners

B. Viskolcz, S. N. Fejer, G. Chass, 2005 .

A prelude to building mathematical models for polypeptide folding: analysis on the conformational potential energy hypersurface cross-sections of N-acetyl-glycyl-glycine-N′-methylamide

B. Viskolcz, I. Csizmadia, A. Valdez, 2018, Canadian Journal of Chemistry.

An improved two-rotor function for conformational potential energy surfaces of 20 amino acid diamides

B. Viskolcz, I. Csizmadia, A. Valdez, 2018 .

Dimension reduction in conformational analysis: a two-rotor mathematical model of amino acid diamide conformational potential energy surface

B. Viskolcz, I. Csizmadia, A. Valdez, 2017 .

Flexibility of "polyunsaturated fatty acid chains" and peptide backbones: A comparative ab initio study.

B. Viskolcz, I. Csizmadia, G. Chass, 2005, The journal of physical chemistry. A.

Vitamin E models. Can the anti-oxidant and pro-oxidant dichotomy of α-tocopherol be related to ionic ring closing and radical ring opening redox reactions?

J. Papp, A. Varró, G. Chass, 2003 .

A model study of the IgA hinge region: an exploratory study of selected backbone conformations of MeCO-l-Pro-l-Thr-NH-Me

E. Pai, B. Penke, I. Csizmadia, 2003 .

Vitamin E models

J. Papp, I. Csizmadia, A. Varró, 2002 .

Molecular orbital computations on lipids: modular numbering

B. Viskolcz, I. Csizmadia, G. Chass, 2003 .

Hexachlorophene and triclosan—exploratory ab initio structural analyses

I. Csizmadia, G. A. Chasse, Ashton A Connor, 2003 .

An ab initio exploratory study on the conformational features of the dipeptide MeCO-Ala-Ala-NH-Me in its four different configurations: determination of the behaviour of D-enantiomer amino acids within a peptide chain

B. Penke, I. Csizmadia, M. Sahai, 2003 .