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1

Stigma as a Barrier to Recovery: The Consequences of Stigma for the Self-Esteem of People With Mental Illnesses

Link, Bruce G., Struening, Elmer L., Neese-Todd, Sheree, Asmussen, Sara, Phelan, Jo C.

Journal:

Psychiatric Services

Year:

2001

Language:

english

File:

PDF, 41 KB

english, 2001

2

Software update: the ORCA program system, version 4.0

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Year:

2017

Language:

english

File:

PDF, 117 KB

english, 2017

3

Electronic structure of the oxygen-evolving complex in photosystem II prior to O-O bond formation

Cox, N., Retegan, M., Neese, F., Pantazis, D. A., Boussac, A., Lubitz, W.

Journal:

Year:

2014

Language:

english

File:

PDF, 1.10 MB

english, 2014

4

NAMD goes quantum: an integrative suite for hybrid simulations

Melo, Marcelo C R, Bernardi, Rafael C, Rudack, Till, Scheurer, Maximilian, Riplinger, Christoph, Phillips, James C, Maia, Julio D C, Rocha, Gerd B, Ribeiro, João V, Stone, John E, Neese, Frank, Schult

Journal:

Year:

2018

Language:

english

File:

PDF, 1.95 MB

english, 2018

5

Prediction of molecular properties and molecular spectroscopy with density functional theory: From fundamental theory to exchange-coupling

Journal:

Coordination Chemistry Reviews

Year:

2009

Language:

english

File:

PDF, 2.53 MB

english, 2009

6

The ORCA program system

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Year:

2012

Language:

english

File:

PDF, 122 KB

english, 2012

7

An analysis of federal mail and wire fraud cases related to marketing

William T. Neese, Linda Ferrell, O.C. Ferrell

Journal:

Journal of Business Research

Year:

2005

Language:

english

File:

PDF, 145 KB

english, 2005

8

The Influence of Comparative Advertising on Consumer Ethnocentrism in the American Automobile Market

Neese, William T., Haynie, Jeffrey J.

Journal:

The Journal of Marketing Theory and Practice

Year:

2015

Language:

english

File:

PDF, 439 KB

english, 2015

9

Advanced aspects of ab initio theoretical optical spectroscopy of transition metal complexes: Multiplets, spin-orbit coupling and resonance Raman intensities

Frank Neese, Taras Petrenko, Dmitry Ganyushin, Gottfried Olbrich

Journal:

Coordination Chemistry Reviews

Year:

2007

Language:

english

File:

PDF, 1.25 MB

english, 2007

10

Spin−Spin Contributions to the Zero-Field Splitting Tensor in Organic Triplets, Carbenes and BiradicalsA Density Functional and Ab Initio Study

Sinnecker, Sebastian, Neese, Frank

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 229 KB

english, 2006

11

One-electron contributions to the g-tensor for second-order Douglas–Kroll–Hess theory

Sandhoefer, B., Neese, F.

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 572 KB

english, 2012

12

Double-hybrid density functional theory for excited electronic states of molecules

Grimme, Stefan, Neese, Frank

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 657 KB

english, 2007

13

Oswestry Disability Index: A Psychometric Analysis with 1610 Patients

Brodke, Darrel S., Annis, Prokopis, Lawrence, Brandon D., Ryan Spiker, W., Neese, Ashley, Hung, Man

Journal:

The Spine Journal

Year:

2014

Language:

english

File:

PDF, 49 KB

english, 2014

14

An Analysis of the Independent Influences Hypothesis Across Involvement Environments

Neese, William T., Capella, Louis M.

Journal:

Journal of Promotion Management

Year:

1997

Language:

english

File:

PDF, 744 KB

english, 1997

15

Metal and ligand hyperfine couplings in transition metal complexes: The effect of spin–orbit coupling as studied by coupled perturbed Kohn–Sham theory

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 347 KB

english, 2003

16

Local Retail Segmentation Using the CETSCALE

Neese, William T., Tomas, G.

Journal:

Journal of Promotion Management

Year:

2002

Language:

english

File:

PDF, 695 KB

english, 2002

17

Speeding up spin-component-scaled third-order pertubation theory with the chain of spheres approximation: the COSX-SCS-MP3 method

Izsák, Róbert, Neese, Frank

Journal:

Molecular Physics

Year:

2013

Language:

english

File:

PDF, 110 KB

english, 2013

18

Is It Possible To Obtain Coupled Cluster Quality Energies at near Density Functional Theory Cost? Domain-Based Local Pair Natural Orbital Coupled Cluster vs Modern Density Functional Theory

Liakos, Dimitrios G., Neese, Frank

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 1.11 MB

english, 2015

19

Efficient implementation of the analytic second derivatives of Hartree–Fock and hybrid DFT energies: a detailed analysis of different approximations

Bykov, Dmytro, Petrenko, Taras, Izsák, Róbert, Kossmann, Simone, Becker, Ute, Valeev, Edward, Neese, Frank

Journal:

Molecular Physics

Year:

2015

Language:

english

File:

PDF, 493 KB

english, 2015

20

Endosseous Fixation Device for Lapidus Arthrodesis: Technique, Early Experience, and Comparison With Crossed Screw Fixation

Zelent, Marek E., Neese, David J., Peterson, Paul H.

Journal:

The Journal of Foot and Ankle Surgery

Year:

2015

Language:

english

File:

PDF, 1.04 MB

english, 2015

21

A realistic in silico model for structure/function studies of molybdenum–copper CO dehydrogenase

Rokhsana, Dalia, Large, Tao A. G., Dienst, Morgan C., Retegan, Marius, Neese, Frank

Journal:

JBIC Journal of Biological Inorganic Chemistry

Year:

2016

Language:

english

File:

PDF, 1.05 MB

english, 2016

22

Regulating Marketing Communications on the Internet

Neese, William T., McManis, Charles R.

Journal:

Journal of Promotion Management

Year:

2003

Language:

english

File:

PDF, 699 KB

english, 2003

23

Effect of ??-Alanine Supplementation on the Acute Hormonal Response to Resistance Exercise

Hoffman, Jay R., Ratamess, Nicholas A., Ross, Ryan, Kang, Jie, Magrelli, Jason, Neese, Kate, Faigenbaum, Avery D., Wise, John A.

Journal:

Medicine & Science in Sports & Exercise

Year:

2008

Language:

english

File:

PDF, 396 KB

english, 2008

24

Oswestry disability index: a psychometric analysis with 1610 patients

Brodke, Darrel S, Goz, Vadim, Lawrence, Brandon D., Spiker, W. Ryan, Neese, Ashley, Hung, Man

Journal:

The Spine Journal

Year:

2016

Language:

english

File:

PDF, 713 KB

english, 2016

25

Structural models of the biological oxygen-evolving complex: achievements, insights, and challenges for biomimicry

Paul, Satadal, Neese, Frank, Pantazis, Dimitrios A.

Journal:

Green Chemistry

Year:

2017

Language:

english

File:

PDF, 2.36 MB

english, 2017

26

Surface hopping dynamics including intersystem crossing using the algebraic diagrammatic construction method

Mai, Sebastian, Plasser, Felix, Pabst, Mathias, Neese, Frank, Köhn, Andreas, González, Leticia

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 4.47 MB

english, 2017

27

A Pair Natural Orbitals Restricted Open Shell Configuration Interaction (PNO-ROCIS) Approach for Calculating X-ray Absorption Spectra of Large Chemical Systems

Maganas, Dimitrios, DeBeer, Serena, Neese, Frank

Journal:

Journal of Physical Chemistry A

Year:

2018

Language:

english

File:

PDF, 3.65 MB

english, 2018

28

The ORCA quantum chemistry program package

Neese, Frank, Wennmohs, Frank, Becker, Ute, Riplinger, Christoph

Journal:

The Journal of Chemical Physics

Year:

2020

File:

PDF, 3.57 MB

2020

29

Double-hybrid density functional theory for g-tensor calculations using gauge including atomic orbitals

Tran, V. A., Neese, F.

Journal:

The Journal of Chemical Physics

Year:

2020

File:

PDF, 1.37 MB

2020

30

Porosity Prediction for Fine-Grained Filter Cake

J. Dueck, E. Zvetanov, Th. Neeße

Journal:

Chemical Engineering & Technology

Year:

2000

Language:

english

File:

PDF, 178 KB

english, 2000

31

Description of the Ground-State Covalencies of the Bis(dithiolato) Transition-Metal Complexes from X-ray Absorption Spectroscopy and Time-Dependent Density-Functional Calculations

Kallol Ray, Serena DeBeer George, Edward I. Solomon, Karl Wieghardt, Frank Neese

Journal:

Chemistry - A European Journal

Year:

2007

Language:

english

File:

PDF, 742 KB

english, 2007

32

How to Build Molecules with Large Magnetic Anisotropy

Jordi Cirera, Eliseo Ruiz, Santiago Alvarez, Frank Neese, Jens Kortus

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 458 KB

english, 2009

33

3,4,5,6-Tetrafluorophenylnitren-2-yl: A Ground-State Quartet Triradical

Dirk Grote, Christopher Finke, Simone Kossmann, Frank Neese, Wolfram Sander

Journal:

Chemistry - A European Journal

Year:

2010

Language:

english

File:

PDF, 606 KB

english, 2010

34

The use of treatments for erectile dysfunction among survivors of prostate carcinoma

Leslie R. Schover, Rachel T. Fouladi, Carla L. Warneke, Leah Neese, Eric A. Klein, Craig Zippe, Patrick A. Kupelian

Journal:

Year:

2002

Language:

english

File:

PDF, 110 KB

english, 2002

35

Intensifying the attrition of mineral waste in stirrer mills

F. Schaaff, M. Schneider, Th. Neeße

Journal:

International Journal of Mineral Processing

Year:

2004

Language:

english

File:

PDF, 511 KB

english, 2004

36

The effect of dietary carbohydrate on genes for fatty acid synthase and inflammatory cytokines in adipose tissues from lean and obese subjects

Lisa C. Hudgins, Aline Baday, Marc K. Hellerstein, Thomas S. Parker, Daniel M. Levine, Cynthia E. Seidman, Richard A. Neese, Jolanta D. Tremaroli, Jules Hirsch

Journal:

The Journal of Nutritional Biochemistry

Year:

2008

Language:

english

File:

PDF, 361 KB

english, 2008

37

Definition of corresponding orbitals and the diradical character in broken symmetry DFT calculations on spin coupled systems

Journal:

Journal of Physics and Chemistry of Solids

Year:

2004

Language:

english

File:

PDF, 100 KB

english, 2004

38

Overflow-control system for a hydrocyclone battery

M. Schneider, Th. Neeße

Journal:

International Journal of Mineral Processing

Year:

2004

Language:

english

File:

PDF, 294 KB

english, 2004

39

Titan-Stickstoff-Verbindungen VII. Darstellung, IR-, Raman- und 1H-KMR-Spektren von tris(dialkylamino)titan-alkylen

Hans Bürger, Hans-Joachim Neese

Journal:

Journal of Organometallic Chemistry

Year:

1969

Language:

german

File:

PDF, 643 KB

german, 1969

40

Genetic, biochemical, and behavioral uniformity among populations of Myzus nicotianae and Myzus persicae

Kieran M. Clements, Clyde E. Sorenson, Brian M. Wiegmann, Paul A. Neese, R. Michael Roe

Journal:

Entomologia Experimentalis et Applicata

Year:

2000

Language:

english

File:

PDF, 178 KB

english, 2000

41

Zur Bedeutung der Augenborsten bei der Fluggeschwindigkeitsregulation der Bienen

Journal:

Journal of Comparative Physiology A: Neuroethology, Sensory, Neural, and Behavioral Physiology

Year:

1966

Language:

german

File:

PDF, 326 KB

german, 1966

42

Magnetic circular dichroism spectroscopy of weakly exchange coupled transition metal dimers: A model study

Stergios Piligkos, Leonardo D. Slep, Thomas Weyhermüller, Phalguni Chaudhuri, Eckhard Bill, Frank Neese

Journal:

Coordination Chemistry Reviews

Year:

2009

Language:

english

File:

PDF, 1.00 MB

english, 2009

43

Reliability, validity and factor structure of the Appraisal of Self-Care Agency Scale – Revised (ASAS-R)

Valmi D. Sousa, Jaclene A. Zauszniewski, Sandra Bergquist-Beringer, Carol M. Musil, Jane B. Neese, Ala'a F. Jaber

Journal:

Journal of Evaluation in Clinical Practice

Year:

2010

Language:

english

File:

PDF, 182 KB

english, 2010

44

First-principles calculations of zero-field splitting parameters

Ganyushin, Dmitry, Neese, Frank

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 456 KB

english, 2006

45

Calculation of Zero-Field Splittings, g-Values, and the Relativistic Nephelauxetic Effect in Transition Metal Complexes. Application to High-Spin Ferric Complexes†

Neese, Frank, Solomon, Edward I.

Journal:

Inorganic Chemistry

Year:

1998

Language:

english

File:

PDF, 207 KB

english, 1998

46

Essential educational content for advanced practice in psychiatric consultation liaison nursing

Pamela A. Minarik, Jane B. Neese

Journal:

Archives of Psychiatric Nursing

Year:

2002

Language:

english

File:

PDF, 107 KB

english, 2002

47

Revisiting the Atomic Natural Orbital Approach for Basis Sets: Robust Systematic Basis Sets for Explicitly Correlated and Conventional Correlated ab initio Methods?

Neese, Frank, Valeev, Edward F.

Journal:

Journal of Chemical Theory and Computation

Year:

2011

Language:

english

File:

PDF, 124 KB

english, 2011

48

What is not required to make a single molecule magnet

Neese, Frank, Pantazis, Dimitrios A.

Journal:

Faraday Discussions

Year:

2010

Language:

english

File:

PDF, 208 KB

english, 2010

49

Osteochondral Autograft Transfer of the First Metatarsal Head: A Case Report

Mark E. Zelent, David J. Neese

Journal:

The Journal of Foot and Ankle Surgery

Year:

2005

Language:

english

File:

PDF, 263 KB

english, 2005

50

Posterior Tibial Artery Pseudoaneurysm Identified Subsequent to Surgical Wound Dehiscence

Marek E. Zelent, David J. Neese

Journal:

The Journal of Foot and Ankle Surgery

Year:

2009

Language:

english

File:

PDF, 2.26 MB

english, 2009