Lista de obras - Feng Wang - Dominio Público Uruguay

A pH-induced conformational switch in a tyrosine kinase inhibitor identified by electronic spectroscopy and quantum chemical calculations

artículo científico publicado en 2017

Adenine Tautomers: Relative Stabilities, Ionization Energies, and Mismatch with Cytosine

artículo científico publicado en 2006

An electron momentum spectroscopy and density functional theory study of the outer valence electronic structure of stella-2,6-dione

artículo científico publicado en 2003

An experimental and theoretical study into the valence electronic structure of bicyclo[2.2.1]hepta-2,5-dione

artículo científico publicado en 2006

Assessment of Quantum Mechanical Models Based on Resolved Orbital Momentum Distributions of n-Butane in the Outer Valence Shell

scientific article published on 01 November 2003

Coexistence of 1,3-butadiene conformers in ionization energies and Dyson orbitals.

artículo científico publicado en 2005

Conformational Plasticity in Tyrosine Kinase Inhibitor-Kinase Interactions Revealed with Fluorescence Spectroscopy and Theoretical Calculations.

artículo científico publicado en 2018

Correlation of electronic structures of three cyclic dipeptides with their photoemission spectra.

artículo científico publicado en 2010

Density functional study of Cu(2+)-phenylalanine complex under micro-solvation environment

artículo científico publicado en 2013

Differential attraction and repulsion of Staphylococcus aureus and Pseudomonas aeruginosa on molecularly smooth titanium films

artículo científico publicado en 2011

Discovery of new HER2/EGFR dual kinase inhibitors based on the anilinoquinazoline scaffold as potential anti-cancer agents ⬇️

artículo científico publicado el 13 de febrero de 2013

Dominant Carbons in trans- and cis-Resveratrol Isomerization.

artículo científico publicado en 2017

Dynamical (e,2e) studies of tetrahydrofurfuryl alcohol.

artículo científico publicado en 2012

Effects of alkyl side chains on properties of aliphatic amino acids probed using quantum chemical calculations

artículo científico publicado en 2011

Electronic structure and intramolecular interactions in three methoxyphenol isomers

article

Electronic structure of the azide group in 3 cent-azido-3 cent-deoxythymidine (AZT) compared to small azide compounds.

artículo científico publicado en 2009

Erratum to “Orbital based electronic structural signatures of the guanine keto G-7H/G-9H tautomer pair as studied using dual space analysis” [Biophys. Chem. 121 (2006) 105–120]

artículo científico publicado en 2007

Exploring the electronic structure of 2,6-stelladione from momentum space I: the p-dominant molecular orbitals in the outer valence shell

artículo científico publicado en 2003

First-principles study of Carbz-PAHTDDT dye sensitizer and two Carbz-derived dyes for dye sensitized solar cells.

artículo científico publicado en 2014

Impact of ketone and amino on the inner shell of guanine.

artículo científico publicado en 2009

In silico design: extended molecular dynamic simulations of a new series of dually acting inhibitors against EGFR and HER2.

artículo científico publicado en 2013

Inner-shell chemical shift of DNA/RNA bases and inheritance from their parent purine and pyrimidine.

artículo científico publicado en 2008

Intramolecular interactions of L-phenylalanine: Valence ionization spectra and orbital momentum distributions of its fragment molecules

scientific article published on 30 August 2010

Investigation into the Valence Electronic Structure of Norbornene Using Electron Momentum Spectroscopy, Green's Function, and Density Functional Theories

artículo científico publicado en 2005

Methylation of zebularine investigated using density functional theory calculations

artículo científico publicado en 2011

Methylation of zebularine: a quantum mechanical study incorporating interactive 3D pdf graphs.

artículo científico

Molecular dynamics studies on the NMR structures of rabbit prion protein wild type and mutants: surface electrostatic charge distributions

artículo científico publicado en 2014

NMR Chemical Shift and Methylation of 4-Nitroimidazole: Experiment and Theory

artículo científico publicado en 2021

Norbornane: an investigation into its valence electronic structure using electron momentum spectroscopy, and density functional and Green's function theories.

artículo científico publicado en 2004

Orbital based electronic structural signatures of the guanine keto G-7H/G-9H tautomer pair as studied using dual space analysis.

artículo científico publicado en 2006

Orbital signatures of methyl in L-alanine

artículo científico publicado en 2006

Photoelectron spectra and structures of three cyclic dipeptides: PhePhe, TyrPro, and HisGly

artículo científico publicado en 2012

Photoelectron spectra of some antibiotic building blocks: 2-azetidinone and thiazolidine-carboxylic acid

artículo científico publicado en 2012

Prediction of spectroscopic constants for diatomic molecules in the ground and excited states using time-dependent density functional theory

scientific article published on 01 January 2006

Quantum chemical approach for positron annihilation spectra of atoms and molecules beyond plane-wave approximation

artículo científico publicado en 2018

Reinterpretation of Dynamic Vibrational Spectroscopy to Determine the Molecular Structure and Dynamics of Ferrocene

artículo científico publicado en 2016

Resveratrol's Hidden Hand: A Route to Optical Detection of Biomolecular Binding

artículo científico publicado en 2018

Stereochemical analysis of ferrocene and the uncertainty of fluorescence XAFS data

artículo científico publicado en 2012

Structural impact on the methano bridge in norbornadiene, norbornene and norbornane

artículo científico publicado en 2004

Structures of cycloserine and 2-oxazolidinone probed by X-ray photoelectron spectroscopy: theory and experiment.

artículo científico publicado en 2014

The attachment of amino fragment to purine: inner-shell structures and spectra.

artículo científico publicado en 2008

Toward rational design of organic dye sensitized solar cells (DSSCs): an application to the TA-St-CA dye

artículo científico publicado en 2012

Understanding glycine conformation through molecular orbitals.

artículo científico publicado en 2005

Unsaturated didehydrodeoxycytidine drugs. 1. Impact of C=C positions in the sugar ring

scientific article published on 21 July 2007

Valence structures of aromatic bioactive compounds: a combined theoretical and experimental study.

artículo científico publicado en 2012

Lista de obras de Feng Wang

A pH-induced conformational switch in a tyrosine kinase inhibitor identified by electronic spectroscopy and quantum chemical calculations

Adenine Tautomers: Relative Stabilities, Ionization Energies, and Mismatch with Cytosine

An electron momentum spectroscopy and density functional theory study of the outer valence electronic structure of stella-2,6-dione

An experimental and theoretical study into the valence electronic structure of bicyclo[2.2.1]hepta-2,5-dione

Assessment of Quantum Mechanical Models Based on Resolved Orbital Momentum Distributions of n-Butane in the Outer Valence Shell

Coexistence of 1,3-butadiene conformers in ionization energies and Dyson orbitals.

Conformational Plasticity in Tyrosine Kinase Inhibitor-Kinase Interactions Revealed with Fluorescence Spectroscopy and Theoretical Calculations.

Correlation of electronic structures of three cyclic dipeptides with their photoemission spectra.

Density functional study of Cu(2+)-phenylalanine complex under micro-solvation environment

Differential attraction and repulsion of Staphylococcus aureus and Pseudomonas aeruginosa on molecularly smooth titanium films

Discovery of new HER2/EGFR dual kinase inhibitors based on the anilinoquinazoline scaffold as potential anti-cancer agents ⬇️

Dominant Carbons in trans- and cis-Resveratrol Isomerization.

Dynamical (e,2e) studies of tetrahydrofurfuryl alcohol.

Effects of alkyl side chains on properties of aliphatic amino acids probed using quantum chemical calculations

Electronic structure and intramolecular interactions in three methoxyphenol isomers

Electronic structure of the azide group in 3 cent-azido-3 cent-deoxythymidine (AZT) compared to small azide compounds.

Erratum to “Orbital based electronic structural signatures of the guanine keto G-7H/G-9H tautomer pair as studied using dual space analysis” [Biophys. Chem. 121 (2006) 105–120]

Exploring the electronic structure of 2,6-stelladione from momentum space I: the p-dominant molecular orbitals in the outer valence shell

First-principles study of Carbz-PAHTDDT dye sensitizer and two Carbz-derived dyes for dye sensitized solar cells.

Impact of ketone and amino on the inner shell of guanine.

In silico design: extended molecular dynamic simulations of a new series of dually acting inhibitors against EGFR and HER2.

Inner-shell chemical shift of DNA/RNA bases and inheritance from their parent purine and pyrimidine.

Intramolecular interactions of L-phenylalanine: Valence ionization spectra and orbital momentum distributions of its fragment molecules

Investigation into the Valence Electronic Structure of Norbornene Using Electron Momentum Spectroscopy, Green's Function, and Density Functional Theories

Methylation of zebularine investigated using density functional theory calculations

Methylation of zebularine: a quantum mechanical study incorporating interactive 3D pdf graphs.

Molecular dynamics studies on the NMR structures of rabbit prion protein wild type and mutants: surface electrostatic charge distributions

NMR Chemical Shift and Methylation of 4-Nitroimidazole: Experiment and Theory

Norbornane: an investigation into its valence electronic structure using electron momentum spectroscopy, and density functional and Green's function theories.

Orbital based electronic structural signatures of the guanine keto G-7H/G-9H tautomer pair as studied using dual space analysis.

Orbital signatures of methyl in L-alanine

Photoelectron spectra and structures of three cyclic dipeptides: PhePhe, TyrPro, and HisGly

Photoelectron spectra of some antibiotic building blocks: 2-azetidinone and thiazolidine-carboxylic acid

Prediction of spectroscopic constants for diatomic molecules in the ground and excited states using time-dependent density functional theory

Quantum chemical approach for positron annihilation spectra of atoms and molecules beyond plane-wave approximation

Reinterpretation of Dynamic Vibrational Spectroscopy to Determine the Molecular Structure and Dynamics of Ferrocene

Resveratrol's Hidden Hand: A Route to Optical Detection of Biomolecular Binding

Stereochemical analysis of ferrocene and the uncertainty of fluorescence XAFS data

Structural impact on the methano bridge in norbornadiene, norbornene and norbornane

Structures of cycloserine and 2-oxazolidinone probed by X-ray photoelectron spectroscopy: theory and experiment.

The attachment of amino fragment to purine: inner-shell structures and spectra.

Toward rational design of organic dye sensitized solar cells (DSSCs): an application to the TA-St-CA dye

Understanding glycine conformation through molecular orbitals.

Unsaturated didehydrodeoxycytidine drugs. 1. Impact of C=C positions in the sugar ring

Valence structures of aromatic bioactive compounds: a combined theoretical and experimental study.