Predicting the Mass Spectra of Environmental Pollutants Using Computational Chemistry: A Case Study and Critical Evaluation
Schreckenbach, Sophia A, Anderson, James S. M, Koopman, Jeroen, Grimme, Stefan, Simpson, Myrna J, Jobst, Karl J
Published in Journal of the American Society for Mass Spectrometry (02.06.2021)
Published in Journal of the American Society for Mass Spectrometry (02.06.2021)
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Journal Article
Conceptual Density-Functional Theory for General Chemical Reactions, Including Those That Are Neither Charge- nor Frontier-Orbital-Controlled. 1. Theory and Derivation of a General-Purpose Reactivity Indicator
Anderson, James S. M, Melin, Junia, Ayers, Paul W
Published in Journal of chemical theory and computation (01.03.2007)
Published in Journal of chemical theory and computation (01.03.2007)
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Journal Article
Longitudinal Performance of a Surgically Implanted Neuroprosthesis for Lower-Extremity Exercise, Standing, and Transfers After Spinal Cord Injury
Triolo, Ronald J., PhD, Bailey, Stephanie Nogan, BSE, Miller, Michael E., MS, Rohde, Loretta M., DPT, Anderson, James S., MD, Davis, John A., DDS, MD, Abbas, James J., PhD, DiPonio, Lisa A., MD, Forrest, George P., MD, Gater, David R., MD, PhD, Yang, Lynda J., MD, PhD
Published in Archives of physical medicine and rehabilitation (01.05.2012)
Published in Archives of physical medicine and rehabilitation (01.05.2012)
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Journal Article
Conceptual Density-Functional Theory for General Chemical Reactions, Including Those That Are Neither Charge- nor Frontier-Orbital-Controlled. 2. Application to Molecules Where Frontier Molecular Orbital Theory Fails
Anderson, James S. M, Melin, Junia, Ayers, Paul W
Published in Journal of chemical theory and computation (01.03.2007)
Published in Journal of chemical theory and computation (01.03.2007)
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Journal Article
Indices for predicting the quality of leaving groups
Ayers, Paul W, Anderson, James S M, Rodriguez, Juan I, Jawed, Zobia
Published in Physical chemistry chemical physics : PCCP (07.05.2005)
Published in Physical chemistry chemical physics : PCCP (07.05.2005)
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Journal Article
Relativistic (SR‐ZORA) quantum theory of atoms in molecules properties
Anderson, James S. M., Rodríguez, Juan I., Ayers, Paul W., Götz, Andreas W.
Published in Journal of computational chemistry (15.01.2017)
Published in Journal of computational chemistry (15.01.2017)
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Journal Article
A physically motivated sparse cubature scheme with applications to molecular density-functional theory
Rodriguez, Juan I, Thompson, David C, Anderson, James S M, Thomson, Jordan W, Ayers, Paul W
Published in Journal of physics. A, Mathematical and theoretical (12.09.2008)
Published in Journal of physics. A, Mathematical and theoretical (12.09.2008)
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Journal Article
An information‐theoretic approach to basis‐set fitting of electron densities and other non‐negative functions
Tehrani, Alireza, Anderson, James S. M., Chakraborty, Debajit, Rodriguez‐Hernandez, Juan I., Thompson, David C., Verstraelen, Toon, Ayers, Paul W., Heidar‐Zadeh, Farnaz
Published in Journal of computational chemistry (30.09.2023)
Published in Journal of computational chemistry (30.09.2023)
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Journal Article
Information theory and Wigner crystallization: A model perspective
Thompson, David C., Anderson, James S. M., Sen, K. D.
Published in International journal of quantum chemistry (05.04.2021)
Published in International journal of quantum chemistry (05.04.2021)
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Journal Article
A reference‐free stockholder partitioning method based on the force on electrons
Fias, Stijn, Heidar‐Zadeh, Farnaz, Anderson, James S. M., Ayers, Paul W., Parr, Robert G.
Published in Journal of computational chemistry (30.06.2018)
Published in Journal of computational chemistry (30.06.2018)
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Journal Article
Molecular QTAIM Topology Is Sensitive to Relativistic Corrections
Anderson, James S. M., Rodríguez, Juan I., Ayers, Paul W., Trujillo‐González, Daniel E., Götz, Andreas W., Autschbach, Jochen, Castillo‐Alvarado, Fray L., Yamashita, Koichi
Published in Chemistry : a European journal (18.02.2019)
Published in Chemistry : a European journal (18.02.2019)
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