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List of works by Steven A Corcelli

Adsorption of diferrocenylacetylene on Au(111) studied by scanning tunneling microscopy

scientific article published on 4 April 2013

Boundary integral methods for the Poisson equation of continuum dielectric solvation models

Counter Cations Affect Transport in Aqueous Hydroxide Solutions with Ion Specificity

scientific article published on 22 April 2019

C–H···O Hydrogen Bonding in Pentamers of Isatin

DNA minor-groove binder Hoechst 33258 destabilizes base-pairing adjacent to its binding site

scientific article published on 22 September 2020

DNA's Chiral Spine of Hydration

scientific article published on 24 May 2017

Decomposition of the Experimental Raman and Infrared Spectra of Acidic Water into Proton, Special Pair, and Counterion Contributions.

scientific article published on 4 October 2017

Decompositions of Solvent Response Functions in Ionic Liquids: A Direct Comparison of Equilibrium and Nonequilibrium Methodologies

scientific article published on 22 June 2018

Detection of DNA-ligand binding oscillations by Stokes-shift measurements.

scientific article published on 30 August 2011

Differential utilization of binding loop flexibility in T cell receptor ligand selection and cross-reactivity

scientific article published on 27 April 2016

Disparate Degrees of Hypervariable Loop Flexibility Control T-Cell Receptor Cross-Reactivity, Specificity, and Binding Mechanism ⬇️

scientific article published on October 12, 2011

Dynamical Signature of Abasic Damage in DNA ⬇️

scientific article published on December 22, 2010

Dynamically Driven Allostery in MHC Proteins: Peptide-Dependent Tuning of Class I MHC Global Flexibility

scientific article published on 03 May 2019

Dynamics and Vibrational Spectroscopy of Alcohols in Ionic Liquids: Methanol and Ethanol

scientific article published on 17 September 2019

Effect of pH and Salt on Surface pKa of Phosphatidic Acid Monolayers.

scientific article

Effects of Long-Range Electrostatics on Time-Dependent Stokes Shift Calculations

scientific article published in August 2009

Electric-field-driven electron-transfer in mixed-valence molecules.

scientific article

Enthalpic Driving Force for the Selective Absorption of CO2 by an Ionic Liquid.

scientific article published on 5 March 2018

Evidence of an unusual N-H···N hydrogen bond in proteins.

scientific article published on 16 September 2014

Evolution of Metastable Clusters into Ordered Structures for 1,1′-Ferrocenedicarboxylic Acid on the Au(111) Surface

Genomic and bioinformatic profiling of mutational neoepitopes reveals new rules to predict anticancer immunogenicity

scientific article

Hydrogen Bond Exchange and Ca2+ Binding of Aqueous N-Methylacetamide Revealed by 2DIR Spectroscopy

scientific article published on 20 July 2020

Hydrogen-bonded clusters of 1, 1'-ferrocenedicarboxylic acid on Au(111) are initially formed in solution

scientific article published in March 2015

Hydrogen-bonded clusters of ferrocenecarboxylic acid on Au(111)

scientific article published on 01 September 2014

Infrared line shape of an alpha-carbon deuterium-labeled amino acid

scientific article published in October 2006

Limitations of time-resolved fluorescence suggested by molecular simulations: assessing the dynamics of T cell receptor binding loops.

scientific article

Machine Learning for Vibrational Spectroscopic Maps

scientific article published on 05 November 2019

Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: I. Ab Initio Calculations.

scientific article published on 30 December 2016

Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: II. Spectroscopic Map.

scientific article

Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: III. Dynamics and Spectroscopy

article

Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: IV. Temperature Dependence

scientific article published on 17 April 2019

Modeling Sequence-Dependent Peptide Fluctuations in Immunologic Recognition.

scientific article published on 11 July 2017

Nitrile groups as vibrational probes of biomolecular structure and dynamics: an overview

scientific article published on 31 July 2009

Nitrile groups as vibrational probes: calculations of the CN infrared absorption line shape of acetonitrile in water and tetrahydrofuran.

scientific article

Non-intuitive clustering of 9,10-phenanthrenequinone on Au(111)

scientific article published on 30 August 2017

Optimized quantum mechanics/molecular mechanics strategies for nitrile vibrational probes: acetonitrile and para-tolunitrile in water and tetrahydrofuran.

scientific article

Peptide and Peptide-Dependent Motions in MHC Proteins: Immunological Implications and Biophysical Underpinnings

scientific article

Phosphate vibrations probe local electric fields and hydration in biomolecules

scientific article

Predicting the Rate Constant of Electron Tunneling Reactions at the CdSe-TiO2 Interface

scientific article published on 14 January 2015

Rate and Amplitude Heterogeneity in the Solvation Response of an Ionic Liquid

scientific article published on 20 January 2016

Reaction Ensemble Monte Carlo Simulations of CO2 Absorption in the Reactive Ionic Liquid Triethyl(octyl)phosphonium 2-Cyanopyrrolide

scientific article published on 30 August 2018

Scanning Tunneling Microscopy Investigation of Two-Dimensional Polymorphism of Structural Isomers

Self-assembly of hydrogen-bonded two-dimensional quasicrystals.

scientific article

Solvation dynamics of Hoechst 33258 in water: an equilibrium and nonequilibrium molecular dynamics study

scientific article

Structural Polymorphism as the Result of Kinetically Controlled Self-Assembly.

scientific article

Synthesis of a Neutral Mixed-Valence Diferrocenyl Carborane for Molecular Quantum-Dot Cellular Automata Applications

scientific article published on 30 October 2015

The dynamics of water at DNA interfaces: computational studies of Hoechst 33258 bound to DNA.

scientific article

Tribute to James L. Skinner

scientific article published on 01 July 2014

Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction

scientific article published on 29 June 2020

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