Monica C. Concha

发表

An electrostatic correction for improved crystal density predictions of energetic ionic compounds

Peter Politzer, Jane S. Murray, Jorge Martínez, 2010 .

Nonlocal density functional calculation of gas phase heats of formation

Peter Politzer, M. Edward Grice, Jane S. Murray, 1995, J. Comput. Chem..

Reactivities of Sites on (5,5) Single-Walled Carbon Nanotubes with and without a Stone-Wales Defect

Jerzy Leszczynski, Peter Politzer, Jane S. Murray, 2010 .

Effects of Electric Fields Upon Energetic Molecules: Nitromethane and Dimethylnitramine

Peter Politzer, Jane S. Murray, Pat Lane, 2007 .

The reaction force: Three key points along an intrinsic reaction coordinate

Peter Politzer, Soledad Gutiérrez-Oliva, Alejandro Toro-Labbé, 2005 .

Computational characterization of energetic materials

Peter Politzer, M. Edward Grice, Jorge M. Seminario, 2001 .

The complementary roles of molecular surface electrostatic potentials and average local ionization energies with respect to electrophilic processes

Peter Politzer, Jane S. Murray, Monica C. Concha, 2002 .

Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds

Jindřich Fanfrlík, Kevin E. Riley, Peter Politzer, 2013, Journal of Molecular Modeling.

Links between surface electrostatic potentials of energetic molecules, impact sensitivities and C–NO2/N–NO2 bond dissociation energies

Peter Politzer, Jane S. Murray, Monica C. Concha, 2009 .

Kinetic and structural analysis of fluorescent peptides on cotton cellulose nanocrystals as elastase sensors.

Monica C. Concha, J. V. Edwards, M. Concha, 2015, Carbohydrate polymers.

Electron (charge) density studies of cellulose models

Monica C. Concha, M. Concha, A. French, 2014, Cellulose.

Evaluation of the role of multiple hydrogen bonding in offering stability to negative ion adducts in electrospray mass spectrometry

Monica C. Concha, R. Cole, J. Murray, 2002, Journal of the American Society for Mass Spectrometry.

An overview of halogen bonding

Peter Politzer, Pat Lane, Monica C. Concha, 2007, Journal of molecular modeling.

Halogen bond tunability I: the effects of aromatic fluorine substitution on the strengths of halogen-bonding interactions involving chlorine, bromine, and iodine

Jindřich Fanfrlík, Kevin E. Riley, Peter Politzer, 2011, Journal of molecular modeling.

Segal crystallinity index revisited by the simulation of X-ray diffraction patterns of cotton cellulose Iβ and cellulose II.

Monica C. Concha, Sunghyun Nam, M. Concha, 2016, Carbohydrate polymers.

Br···O Complexes as Probes of Factors Affecting Halogen Bonding: Interactions of Bromobenzenes and Bromopyrimidines with Acetone.

Pavel Hobza, Kevin E. Riley, Peter Politzer, 2009, Journal of chemical theory and computation.

CBS-QB3 determination of enthalpy and free energy changes at normal and elevated temperatures

Monica C. Concha, P. Politzer, M. Concha, 2000 .

Nanocellulose-Based Biosensors: Design, Preparation, and Activity of Peptide-Linked Cotton Cellulose Nanocrystals Having Fluorimetric and Colorimetric Elastase Detection Sensitivity

Monica C. Concha, J. V. Edwards, M. Concha, 2013 .

Computational prediction of standard gas, liquid, and solid-phase heats of formation and heats of vaporization and sublimation

Monica C. Concha, P. Politzer, M. Concha, 2005 .

An electrostatic interaction correction for improved crystal density prediction

Monica C. Concha, J. Murray, P. Politzer, 2009 .

Density functional study of the structure and some decomposition reactions of the dinitramide anion N(NO2)2

Monica C. Concha, P. Politzer, M. Concha, 1993 .

ENERGETICS OF AMMONIUM DINITRAMIDE DECOMPOSITION STEPS

Monica C. Concha, P. Politzer, M. Concha, 1998 .

Catalytic hydrodeoxygenation of methyl-substituted phenols: correlations of kinetic parameters with molecular properties.

Monica C. Concha, J. Simons, J. Murray, 2006, The journal of physical chemistry. B.

Molecular surface electrostatic potentials and anesthetic activity

Peter Politzer, Monica C. Concha, J. Murray, 2007, Journal of molecular modeling.

Blue shifts vs red shifts in σ-hole bonding

Pavel Hobza, Peter Politzer, Pat Lane, 2008, Journal of molecular modeling.

Comparative analysis of surface electrostatic potentials of carbon, boron/nitrogen and carbon/boron/nitrogen model nanotubes

Monica C. Concha, J. Murray, P. Politzer, 2005, Journal of molecular modeling.

Some proposed criteria for simulants in supercritical systems

Monica C. Concha, J. Murray, P. Politzer, 1993 .

Effects of different caps on model nanotube surface properties

Monica C. Concha, J. Murray, P. Politzer, 2005 .

σ-hole bonding between like atoms; a fallacy of atomic charges

Peter Politzer, Monica C. Concha, J. Murray, 2008, Journal of molecular modeling.

Halogen bonding and the design of new materials: organic bromides, chlorides and perhaps even fluorides as donors

Peter Politzer, Monica C. Concha, J. Murray, 2007, Journal of molecular modeling.

Electrostatically driven complexes of SiF4 with amines

Monica C. Concha, J. Murray, P. Politzer, 2009 .

A possible crystal volume factor in the impact sensitivities of some energetic compounds

Monica C. Concha, J. Murray, P. Politzer, 2010, Journal of molecular modeling.

The Remarkable Capacities of (6,0) Carbon and Carbon/Boron/Nitrogen Model Nanotubes for Transmission of Electronic Effects

Monica C. Concha, J. Murray, P. Politzer, 2007 .

Chapter 3 Charge delocalization in (n, 0) model carbon nanotubes

Monica C. Concha, J. Murray, P. Politzer, 2007 .

Computational Determination of Nitroaromatic Solid Phase Heats of Formation

Monica C. Concha, P. Politzer, M. Concha, 2004 .

Chapter 9 - Computational approaches to heats of formation

Monica C. Concha, P. Politzer, M. Concha, 2003 .

An unusual feature of end-substituted model carbon (6,0) nanotubes

Monica C. Concha, J. Murray, P. Politzer, 2005, Journal of Molecular Modeling.

Computational characterization of the hydroxylamino (NHOH) group

Monica C. Concha, J. Murray, P. Politzer, 2008 .

The synthesis and binding properties of nano-scale hydrophobic pockets

Monica C. Concha, P. Politzer, M. Concha, 2002 .

An Operational Definition of Relative Hardness

Monica C. Concha, J. Murray, P. Politzer, 2007 .