[PDF][PDF] Comparative conformational, structural and vibrational study on the molecular structure of tyrosine and L-DOPA using density functional theory

SA Siddiqui, AK Pandey, A Dwivedi, S Jain… - J. Chem. Pharm …, 2010 - researchgate.net
ABSTRACT A brief conformational, structural and vibrational study has been performed on
the molecular structure of two well known amino acids tyrosine and L-DOPA. The …

Conformational equilibrium and hydrogen bonding in liquid 2-phenylethylamine explored by raman spectroscopy and theoretical calculations

M Xie, Y Qi, Y Hu - The Journal of Physical Chemistry A, 2011 - ACS Publications
2-Phenylethylamine (PEA) is the simplest aromatic amine neurotransmitter, as well as one of
the most important. In this work, the conformational equilibrium and hydrogen bonding in …

Tyramine electropolymerization revisited by DFT and experimental study

O Abrahão Jr, AE da Hora Machado, FFS Silva… - Journal of Molecular …, 2013 - Elsevier
This work revisits tyramine electropolymerization on graphite electrodes through both
theoretical and experimental investigation. Minimum energy structures of poly-tyramine …

Effect of phenolic molecules on electrophoretic deposition of manganese dioxide–carbon nanotube nanocomposites

Y Wang, I Zhitomirsky - Colloids and Surfaces A: Physicochemical and …, 2010 - Elsevier
Electrophoretic deposition (EPD) method has been developed for the fabrication of
manganese dioxide (MD)–multiwalled carbon nanotubes (MWCNTs) nanocomposites …

[PDF][PDF] Theoretical investigations on the molecular structure, HOMO–LUMO, Fukui function, NBO analysis and NLO of amino methyl tetrathiafulvalenes compounds by …

H Tabbi, T Abbaz, A Bendjeddou… - International Journal of …, 2017 - academia.edu
The aim of this study is to find out the molecular characteristic and structural parameters that
govern the chemical behavior of tetrathiafulvalene derivatives which are amino methyl …

Eksperimentalno i teorijsko ispitivanje odnosa struktura-antiradikalska aktivnost odabranih neurotransmitera, njihovih prekursora i metabolita

D Dimić - Универзитет у Београду, 2018 - nardus.mpn.gov.rs
Predmet istraživanja ove doktorske teze je in vitro određivanje antiradikalske aktivnosti
odabranih neurotranmitera, njihovih prekursora i metabolita, au cilju uspostavljanja odnosa …

Uniform versus Nonuniform Scaling of Normal Modes Predicted by Ab Initio Calculations: A Test on 2‐(2,6‐Dichlorophenyl)‐N‐(1,3‐thiazol‐2yl) Acetamide

AK Srivastava, AK Pandey, S Pandey… - International Journal …, 2014 - Wiley Online Library
A test on calculated vibrational modes of 2‐(2, 6‐dichlorophenyl)‐N‐(1, 3‐thiazol‐2yl)
acetamide using ab initio density functional method has been performed. The calculated …

Conformational analysis, inter-molecular interactions, electronic properties and vibrational spectroscopic studies on cis-4-hydroxy-d-proline

AK Srivastava, A Dwivedi, A Kumar, SK Gangwar… - Cogent …, 2016 - Taylor & Francis
The present study deals with a non-native amino acid, cis-4-hydroxy-d-proline (CHDP) using
density functional theory at B3LYP/6-31+ G (d, p) level. The potential energy surface scan …

Biyojenik Aminler Üzerine DFT Çalışması

ÜD Uysal - Afyon Kocatepe Üniversitesi Fen Ve Mühendislik …, 2012 - dergipark.org.tr
Bu çalışmada, alifatik (putresin, kadaverin, spermin ve spermidin), aromatik (tiramin,
feniletilamin) ve heterosiklik (histamin ve triptamin) biyojenik aminlerin ve etkileşen biyojenik …

[PDF][PDF] Research Article Uniform versus Nonuniform Scaling of Normal Modes Predicted by Ab Initio Calculations: A Test on 2-(2, 6-Dichlorophenyl)-N-(1, 3-thiazol-2yl) …

AK Srivastava, AK Pandey, S Pandey, PS Nayak… - academia.edu
A test on calculated vibrational modes of 2-(2, 6-dichlorophenyl)-N-(1, 3-thiazol-2yl)
acetamide using ab initio density functional method has been performed. The calculated …