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1

What Is an Atom in a Molecule?

Parr, Robert G., Ayers, Paul W., Nalewajski, Roman F.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 25 KB

english, 2005

2

What is Realism?

Michael Ayers, Paul Snowdon

Journal:

Proceedings of the Aristotelian Society (Hardback))

Year:

2002

Language:

english

File:

PDF, 168 KB

english, 2002

3

The exact Fermi potential yielding the Hartree-Fock electron density from orbital-free density functional theory

Finzel, Kati, Ayers, Paul W.

Journal:

International Journal of Quantum Chemistry

Year:

2017

Language:

english

File:

PDF, 320 KB

english, 2017

4

Nine questions on energy decomposition analysis

Andrés, Juan, Ayers, Paul W., Boto, Roberto A., Carbó-Dorca, Ramon, Chermette, Henry, Cioslowski, Jerzy, Contreras-García, Julia, Cooper, David L., Frenking, Gernot, Gatti, Carlo, Heidar-Zadeh, Farnaz

Journal:

Journal of Computational Chemistry

Year:

2019

Language:

english

File:

PDF, 2.97 MB

english, 2019

5

Conceptual density functional theory: status, prospects, issues

Geerlings, Paul, Chamorro, Eduardo, Chattaraj, Pratim Kumar, De Proft, Frank, GÃ¡zquez, JosÃ© L., Liu, Shubin, Morell, Christophe, Toro-LabbÃ©, Alejandro, Vela, Alberto, Ayers, Paul

Journal:

Theoretica Chimica Acta

Year:

2020

Language:

english

File:

PDF, 1.06 MB

english, 2020

6

Conceptual DFT analysis of the regioselectivity of 1,3-dipolar cycloadditions: nitrones as a case of study

Miranda-Quintana, Ramón Alain, González, Marco Martínez, Hernández-Castillo, David, Montero-Cabrera, Luis A., Ayers, Paul W., Morell, Christophe

Journal:

Journal of Molecular Modeling

Year:

2017

Language:

english

File:

PDF, 3.41 MB

english, 2017

7

Assessing the impacts of military vehicle traffic on natural areas. Introduction to the special issue and review of the relevant military vehicle impact literature

Alan B. Anderson, Antonio J. Palazzo, Paul D. Ayers, Jeffrey S. Fehmi, Sally Shoop, Patricia Sullivan

Journal:

Journal of Terramechanics

Year:

2005

Language:

english

File:

PDF, 161 KB

english, 2005

8

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.

Journal:

Journal of Chemical Theory and Computation

Year:

2007

Language:

english

File:

PDF, 128 KB

english, 2007

9

Addressing the Coulomb potential singularity in exchange-correlation energy integrals with one-electron and two-electron basis sets

Rogelio Cuevas-Saavedra, Paul W. Ayers

Journal:

Chemical Physics Letters

Year:

2012

Language:

english

File:

PDF, 312 KB

english, 2012

10

Securing and controlling data in the cloud

Journal:

Computer Fraud & Security

Year:

2012

Language:

english

File:

PDF, 296 KB

english, 2012

11

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.

Journal:

Journal of Chemical Theory and Computation

Year:

2007

Language:

english

File:

PDF, 567 KB

english, 2007

12

Pathways to transformational change in the face of climate impacts: an analytical framework

Mapfumo, Paul, Onyango, Mary, Honkponou, Saïd K., El Mzouri, El Houssine, Githeko, Andrew, Rabeharisoa, Lilia, Obando, Joy, Omolo, Nancy, Majule, Amos, Denton, Fatima, Ayers, Jessica, Agrawal, Arun

Journal:

Climate and Development

Year:

2015

Language:

english

File:

PDF, 307 KB

english, 2015

13

[ASME ASME 2012 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference - Chicago, Illinois, USA (Sunday 12 August 2012)] Volume 6: 1st Biennial International Conference on Dynamics for Design; 14th International Conference on Advanced Vehicle Technologies - A Physics-Based Terrain Model for Off-Road Vehicle Simulations

Madsen, Justin, Ayers, Paul, Reid, Alexander, Seidl, Andrew, Bozdech, George, O’Kins, James, Negrut, Dan

Year:

2012

Language:

english

File:

PDF, 2.16 MB

english, 2012

14

Modeling Energy Balance and Airflow Characteristics in a Naturally Ventilated High Tunnel

Zheng, Muzi, Leib, Brian G., Butler, David M., Wright, Wesley, Ayers, Paul, Hayes, Douglas

Journal:

Transactions of the ASABE

Year:

2017

Language:

english

File:

PDF, 1.78 MB

english, 2017

15

Stability Analysis of Agricultural Off-Road Vehicles

Ayers, Paul, Conger, John B., Comer, Rob, Troutt, Paul

Journal:

Journal of Agricultural Safety and Health

Year:

2018

Language:

english

File:

PDF, 858 KB

english, 2018

16

A Physics-Based Vehicle/Terrain Interaction Model for Soft Soil Off-Road Vehicle Simulations

Madsen, Justin, Negrut, Dan, Reid, Alexander, Seidl, Andrew, Ayers, Paul, Bozdech, George, Freeman, Jeffery, O'Kins, James

Journal:

SAE International Journal of Commercial Vehicles

Year:

2012

Language:

english

File:

PDF, 6.18 MB

english, 2012

17

Intraosseous versus Intravenous access in Patients with Out-of-Hospital Cardiac Arrest: Insights from the Resuscitation Outcomes Consortium Continuous Chest Compression Trial

Mody, Purav, Brown, Siobhan P., Kudenchuk, Peter J., Chan, Paul S., Khera, Rohan, Ayers, Colby, Pandey, Ambarish, Kern, Karl, de Lemos, James A., Link, Mark S., Idris, Ahamed H.

Journal:

Year:

2018

Language:

english

File:

PDF, 466 KB

english, 2018

18

Density-Functional Theory

Paul W. Ayers, Weitao Yang

Journal:

Year:

2004

File:

PDF, 47 KB

2004

19

Influence of turning radius on wheeled military vehicle induced rut formation

Kun Liu, Paul Ayers, Heidi Howard, Alan Anderson

Journal:

Journal of Terramechanics

Year:

2009

Language:

english

File:

PDF, 1.08 MB

english, 2009

20

Are the Hirshfeld and Mulliken population analysis schemes consistent with chemical intuition?

Soumen Saha, Ram Kinkar Roy, Paul W. Ayers

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 164 KB

english, 2009

21

Local kinetic energy and local temperature in the density-functional theory of electronic structure

Paul W. Ayers, Robert G. Parr, Agnes Nagy

Journal:

International Journal of Quantum Chemistry

Year:

2002

Language:

english

File:

PDF, 236 KB

english, 2002

22

Short wavelength-sensitive opsins from the Saharan silver and carpenter Ants

W. Clay Smith, Donald M. Ayers, Michael P. Popp, Paul A. Hargrave

Journal:

Invertebrate Neuroscience

Year:

1997

Language:

english

File:

PDF, 621 KB

english, 1997

23

The electron-propagator approach to conceptual density-functional theory

Junia Melin, Paul W. Ayers, J. V. Ortiz

Journal:

Journal of Chemical Sciences

Year:

2005

Language:

english

File:

PDF, 128 KB

english, 2005

24

On the electronegativity nonlocality paradox

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2007

Language:

english

File:

PDF, 241 KB

english, 2007

25

Perspective on “Density functional approach to the frontier-electron theory of chemical reactivity”

Paul W. Ayers, Mel Levy

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2000

Language:

english

File:

PDF, 129 KB

english, 2000

26

A meta-analysis comparing trials of antimuscarinic medications funded by industry or not

PAUL K. TULIKANGAS, AMANDA AYERS, DAVID M. O’SULLIVAN

Journal:

BJU International

Year:

2006

Language:

english

File:

PDF, 91 KB

english, 2006

27

The Woodward–Hoffmann Rules Reinterpreted by Conceptual Density Functional Theory

Geerlings, Paul, Ayers, Paul W., Toro-Labbé, Alejandro, Chattaraj, Pratim K., De Proft, Frank

Journal:

Accounts of Chemical Research

Year:

2012

Language:

english

File:

PDF, 3.69 MB

english, 2012

28

Critical analysis and extension of the Hirshfeld atoms in molecules

Bultinck, Patrick, Van Alsenoy, Christian, Ayers, Paul W., Carbó-Dorca, Ramon

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 410 KB

english, 2007

29

Time-independent (static) density-functional theories for pure excited states: Extensions and unification

Ayers, Paul W., Levy, Mel

Journal:

Physical Review A

Year:

2009

Language:

english

File:

PDF, 401 KB

english, 2009

30

Calculation of Fukui Functions Without Differentiating to the Number of Electrons. 3. Local Fukui Function and Dual Descriptor

Fievez, Tim, Sablon, Nick, De Proft, Frank, Ayers, Paul W., Geerlings, Paul

Journal:

Journal of Chemical Theory and Computation

Year:

2008

Language:

english

File:

PDF, 759 KB

english, 2008

31

The Ehrenfest force topology: a physically intuitive approach for analyzing chemical interactions

Maza, Julio R., Jenkins, Samantha, Kirk, Steven R., Anderson, James S. M., Ayers, Paul W.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 8.92 MB

english, 2013

32

The influence of orbital rotation on the energy of closed-shell wavefunctions

Limacher, Peter A., Kim, Taewon D., Ayers, Paul W., Johnson, Paul A., De Baerdemacker, Stijn, Van Neck, Dimitri, Bultinck, Patrick

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 1.18 MB

english, 2014

33

Critical thoughts on computing atom condensed Fukui functions

Bultinck, Patrick, Fias, Stijn, Van Alsenoy, Christian, Ayers, Paul W., Carbó-Dorca, Ramon

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 363 KB

english, 2007

34

Representing Potential Energy Functions by Expansions in Orthogonal Polynomials. Generalized SPF Potentials

Parr, Robert G., Ayers, Paul W.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 35 KB

english, 2002

35

Electron localization-delocalization matrices in the prediction of pKa's and UV-wavelengths of maximum absorbance of p-benzoic acids and the definition of super-atoms in molecules

Sumar, Ismat, Ayers, Paul W., Matta, Chérif F.

Journal:

Chemical Physics Letters

Year:

2014

Language:

english

File:

PDF, 1.42 MB

english, 2014

36

Further links between the maximum hardness principle and the hard/soft acid/base principle: insights from hard/soft exchange reactions

Chattaraj, Pratim K., Ayers, Paul W., Melin, Junia

Journal:

Physical Chemistry Chemical Physics

Year:

2007

Language:

english

File:

PDF, 120 KB

english, 2007

37

[IEEE MILCOM 91 - Conference record - McLean, VA, USA (4-7 Nov. 1991)] MILCOM 91 - Conference record - EHF phased array manpack terminal design

Paul, H., Ayers, D.R., Shloss, P.

Year:

1991

Language:

english

File:

PDF, 438 KB

english, 1991

38

Alternative definition of exchange-correlation charge in density functional theory

Liu, Shubin, Ayers, Paul W., Parr, Robert G.

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 327 KB

english, 1999

39

Time-independent density-functional theory for excited states of Coulomb systems

Ayers, Paul W., Levy, Mel, Nagy, Agnes

Journal:

Physical Review A

Year:

2012

Language:

english

File:

PDF, 178 KB

english, 2012

40

Hamilton-Jacobi equation for the least-action/least-time dynamical path based on fast marching method

Dey, Bijoy K., Janicki, Marek R., Ayers, Paul W.

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 519 KB

english, 2004

41

Computing Fukui functions without differentiating with respect to electron number. II. Calculation of condensed molecular Fukui functions

Sablon, Nick, De Proft, Frank, Ayers, Paul W., Geerlings, Paul

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 492 KB

english, 2007

42

Generalizations of the Hohenberg-Kohn theorem: I. Legendre Transform Constructions of Variational Principles for Density Matrices and Electron Distribution Functions

Ayers, Paul W., Golden, Sidney, Levy, Mel

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 340 KB

english, 2006

43

The Revolution in Philosophy.; La Pensee Anglo-Saxonne Depuis 1900.;

Urmson, J. O., Ayer, A. J., Ginestier, Paul

Journal:

The Philosophical Quarterly

Year:

1957

Language:

english

File:

PDF, 195 KB

english, 1957

44

Changes in the Perception of the College Environment

Ayers, Jerry B., Wood, Paul L.

Journal:

Improving College and University Teaching

Year:

1975

Language:

english

File:

PDF, 238 KB

english, 1975

45

Effect of Dynamics on the Stability Index of Tractors

Liu, Juhua, Ayers, Paul D.

Journal:

Journal of Agromedicine

Year:

1997

Language:

english

File:

PDF, 78 KB

english, 1997

46

Density scaling and relaxation of the Pauli principle

Morrison, Robert C., Ayers, Paul W., Nagy, Á

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 465 KB

english, 2007

47

AIM LDM: A Program to Generate and Analyze Electron Localization-Delocalization Matrices (LDMs)

Sumar, Ismat, Cook, Ronald, Ayers, Paul W., Matta, Chérif F.

Journal:

Computational and Theoretical Chemistry

Year:

2015

Language:

english

File:

PDF, 1.74 MB

english, 2015

48

Perspectives on delineating management zones for variable rate irrigation

Haghverdi, Amir, Leib, Brian G., Washington-Allen, Robert A., Ayers, Paul D., Buschermohle, Michael J.

Journal:

Computers and Electronics in Agriculture

Year:

2015

Language:

english

File:

PDF, 5.90 MB

english, 2015

49

Studying uniform and variable rate center pivot irrigation strategies with the aid of site-specific water production functions

Haghverdi, Amir, Leib, Brian G., Washington-Allen, Robert A., Buschermohle, Michael J., Ayers, Paul D.

Journal:

Computers and Electronics in Agriculture

Year:

2016

Language:

english

File:

PDF, 5.02 MB

english, 2016

50

Quality Improvement Learning Collaboratives

Ayers, Lea R., Beyea, Suzanne C., Godfrey, Marjorie M., Harper, Doreen C., Nelson, Eugene C., Batalden, Paul B.

Journal:

Quality Management in Health Care

Year:

2005

Language:

english

File:

PDF, 110 KB

english, 2005

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