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1

Ab initio molecular structure study of alkyl substitute analogues of Alzheimer drug phenserine: structure–activity relationships for acetyl- and butyrylcholinesterase inhibitory action

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 123 KB

english, 2005

2

Density functional theory and ab-initio computational study of molecular structure, tautomerism, and geometrical isomerism of ethynyl-bridged dipyridinones: In the gas phase and dielectric media

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 340 KB

english, 2009

3

Conformation and tautomerizm of the 2-methyl-4-pyridin-2′-yl-1,5-benzodiazepine molecule. An ab initio study

Journal:

Journal of Molecular Modeling

Year:

2008

Language:

english

File:

PDF, 289 KB

english, 2008

4

Mechanisms and transition structures for conjugate and carbonyl addition of ammonia to three small α,β-unsaturated carbonyl compounds. An ab initio molecular orbital study

Nurten Tezer, Refik Ozkan

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2001

Language:

english

File:

PDF, 169 KB

english, 2001

5

Structure–activity relationship studies on aza analogues of illudins

Refik Ozkan, Nurten Tezer

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2001

Language:

english

File:

PDF, 241 KB

english, 2001

6

DFT study on metal-mediated uracil base pair complexes

Üngördü, Ayhan, Tezer, Nurten

Journal:

Journal of Saudi Chemical Society

Year:

2017

Language:

english

File:

PDF, 958 KB

english, 2017

7

The solvent (water) and metal effects on HOMO-LUMO gaps of guanine base pair: A computational study

Üngördü, Ayhan, Tezer, Nurten

Journal:

Journal of Molecular Graphics and Modelling

Year:

2017

Language:

english

File:

PDF, 2.44 MB

english, 2017

8

Effect on frontier molecular orbitals of substituents in 5-position of uracil base pairs in vacuum and water

Üngördü, Ayhan, Tezer, Nurten

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2017

Language:

english

File:

PDF, 811 KB

english, 2017

9

Electronic Properties of Artificial MetalâDNA Base Pair Complexes Formed from Hydroxypyridone Base

ÃngÃ¶rdÃ¼, Ayhan, Tezer, Nurten

Journal:

ChemistrySelect

Year:

2020

File:

PDF, 4.28 MB

2020