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51

A Versatile Method for Ammonia Detection in a Range of Relevant Electrolytes via Direct Nuclear Magnetic Resonance Techniques

Nielander, Adam C., McEnaney, Joshua M., Schwalbe, Jay A., Baker, Jon G., Blair, Sarah J., Wang, Lei, Pelton, Jeffrey G., Andersen, Suzanne Z., Enemark-Rasmussen, Kasper, Čolić, Viktor, Yang, Sungeun,

Journal:

Year:

2019

Language:

english

File:

PDF, 1.12 MB

english, 2019

52

Predictive modeling of hypoglycemia for clinical decision support in evaluating outpatients with diabetes mellitus

Li, Xiaochun, Yu, Shengsheng, Zhang, Zuoyi, Radican, Larry, Cummins, Jonathan, Engel, Samuel S, Iglay, Kristy, Duke, Jon, Baker, Jarod, Brodovicz, Kimberly G, Naik, Ramachandra G, Leventhal, Jeremy, C

Journal:

Current Medical Research and Opinion

Year:

2019

Language:

english

File:

PDF, 523 KB

english, 2019

53

Scales of governance: Translating multiscalar transitional pathways in South Africaâs energy landscape

Caprotti, Federico, Essex, Stephen, Phillips, Jon, de Groot, Jiska, Baker, Lucy

Journal:

Energy Research & Social Science

Year:

2020

File:

PDF, 262 KB

2020

54

Subdividing Y-chromosome haplogroup R1a1 reveals Norse Viking dispersal lineages in Britain

Lall, Gurdeep Matharu, Larmuseau, Maarten H. D., Wetton, Jon H., Batini, Chiara, Hallast, Pille, Huszar, Tunde I., Zadik, Daniel, Aase, Sigurd, Baker, Tina, Balaresque, Patricia, Bodmer, Walter, BÃ¸rg

Journal:

European Journal of Human Genetics

Year:

2020

File:

PDF, 2.30 MB

2020

55

Molecular energies and properties from density functional theory: Exploring basis set dependence of Kohn?Sham equation using several density functionals

Scheiner, Andrew C., Baker, Jon, Andzelm, Jan W.

Journal:

Journal of Computational Chemistry

Year:

1997

Language:

english

File:

PDF, 283 KB

english, 1997

56

Predicting the vibrational spectra of some simple fluorocarbons by direct scaling of primitive valence force constants

Baker, Jon, Pulay, Peter

Journal:

Journal of Computational Chemistry

Year:

1998

Language:

english

File:

PDF, 246 KB

english, 1998

57

Efficient geometry optimization of molecular clusters

Baker, Jon, Pulay, Peter

Journal:

Journal of Computational Chemistry

Year:

2000

Language:

english

File:

PDF, 185 KB

english, 2000

58

Kombinatorische Synthese der äußeren Schichten von Dendrimeren mit Isocyanat-Bausteinen

George R. Newkome, Claus D. Weis, Charles N. Moorefield, Gregory R. Baker, Bradley J. Childs, Jon Epperson

Journal:

Angewandte Chemie

Year:

1998

Language:

german

File:

PDF, 178 KB

german, 1998

59

Study of the idiotypy of lipopolysaccharide-specific polyclonal and monoclonal antibodies

Jacques R. Hiernaux, Kenneth R. Schroer, Phillip J. Baker, Jon A. Rudbach, Constantin Bona

Journal:

European Journal of Immunology

Year:

1982

Language:

english

File:

PDF, 741 KB

english, 1982

60

An efficient parallel algorithm for the calculation of canonical MP2 energies

Jon Baker, Peter Pulay

Journal:

Journal of Computational Chemistry

Year:

2002

Language:

english

File:

PDF, 111 KB

english, 2002

61

Parallel stored-integral and semidirect Hartree–Fock and DFT methods with data compression

Alexander V. Mitin, Jon Baker, Krzysztof Wolinski, Peter Pulay

Journal:

Journal of Computational Chemistry

Year:

2003

Language:

english

File:

PDF, 93 KB

english, 2003

62

Parallel DFT gradients using the Fourier Transform Coulomb method

Jon Baker, Krzysztof Wolinski, Peter Pulay

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 116 KB

english, 2007

63

Quantum chemistry in parallel with PQS

Jon Baker, Krzysztof Wolinski, Massimo Malagoli, Don Kinghorn, Pawel Wolinski, Gábor Magyarfalvi, Svein Saebo, Tomasz Janowski, Peter Pulay

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 356 KB

english, 2009

64

Comments on the molecular geometry of ferrocene: The dangers of using quantum chemistry programs as black boxes

Jason Martin, Jon Baker, Peter Pulay

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 51 KB

english, 2009

65

An efficient parallel algorithm for the calculation of unrestricted canonical MP2 energies

Jon Baker, Krzysztof Wolinski

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 1.18 MB

english, 2011

66

An algorithm for the location of transition states

Journal:

Journal of Computational Chemistry

Year:

1986

Language:

english

File:

PDF, 956 KB

english, 1986

67

The evaluation of molecular electron affinities

Jon Baker, Ross H. Nobes, Leo Radom

Journal:

Journal of Computational Chemistry

Year:

1986

Language:

english

File:

PDF, 952 KB

english, 1986

68

An algorithm for geometry optimization without analytical gradients

Journal:

Journal of Computational Chemistry

Year:

1987

Language:

english

File:

PDF, 1.06 MB

english, 1987

69

Geometry optimization in Cartesian coordinates: Constrained optimization

Journal:

Journal of Computational Chemistry

Year:

1992

Language:

english

File:

PDF, 1.32 MB

english, 1992

70

Constrained optimization in cartesian coordinates

Jon Baker, Doreen Bergeron

Journal:

Journal of Computational Chemistry

Year:

1993

Language:

english

File:

PDF, 835 KB

english, 1993

71

EOM/propagator ionization potentials: Prediction of complete valence-shell ionization spectra using direct diagonalization

Journal:

Chemical Physics Letters

Year:

1983

Language:

english

File:

PDF, 438 KB

english, 1983

72

Spin contamination in density functional theory

Jon Baker, Andrew Scheiner, Jan Andzelm

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 773 KB

english, 1993

73

OH + H2 → H2O + H. The importance of ‘exact exchange’ in density functional theory

Jon Baker, Jan Andzelm, Max Muir, Peter R. Taylor

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 476 KB

english, 1995

74

A theoretical approach to molecular conformational analysis

Leo Radom, Jon Baker, Peter M.W. Gill, Ross H. Nobes, Noel V. Riggs

Journal:

Journal of Molecular Structure

Year:

1985

Language:

english

File:

PDF, 981 KB

english, 1985

75

Magnetic properties of the cytochrome c oxidase active site

Daniel W. Lee, Vinai Chunplang, Joseph E. Bradshaw, Gary Baker, Amber Jain, Masato Noguchi, Jon Schoonover, Graham Palmer, Lon J. Wilson

Journal:

Journal of Inorganic Biochemistry

Year:

1991

Language:

english

File:

PDF, 36 KB

english, 1991

76

EOM/Propagator ionization potentials: Extension of the excitation operator manifold

Journal:

Chemical Physics

Year:

1983

Language:

english

File:

PDF, 779 KB

english, 1983

77

Time-dependent point source search methods in high energy neutrino astronomy

Jim Braun, Mike Baker, Jon Dumm, Chad Finley, Albrecht Karle, Teresa Montaruli

Journal:

Astroparticle Physics

Year:

2010

Language:

english

File:

PDF, 401 KB

english, 2010

78

Detection of the first G6P[14] human rotavirus strain from a child with diarrhea in Egypt

May El Sherif, Mathew D. Esona, Yuhuan Wang, Jon R. Gentsch, Baoming Jiang, Roger I. Glass, Shermine Abou Baker, John D. Klena

Journal:

Infection, Genetics and Evolution

Year:

2011

Language:

english

File:

PDF, 404 KB

english, 2011

79

Reply to the comments on `Efficient calculation of canonical MP2 energies' by A. Köhn and C. Hättig

Peter Pulay, Jon Baker, Krzysztof Wolinski

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 61 KB

english, 2002

80

A density functional study of mono- and difluoropropenes

Jon Baker, Max Muir

Journal:

Journal of Fluorine Chemistry

Year:

1998

Language:

english

File:

PDF, 1.95 MB

english, 1998

81

A82775b and a82775c, novel metabolites of an unknown fungus of the order sphaeropsidales

Dale R. Sanson, Hanna Gracz, Michael S. Tempesta, David S. Fukuda, Walter M. Nakatsukasa, Thomas H. Sands, Patrick J. Baker, Jon S. Mynderse

Journal:

Year:

1991

Language:

english

File:

PDF, 761 KB

english, 1991

82

Ab initio quantum chemistry on PC-based parallel supercomputers

Jon Baker, Matt Shirel

Journal:

Parallel Computing

Year:

2000

Language:

english

File:

PDF, 122 KB

english, 2000

83

A new model of charge transfer during ice–ice collisions

Marcia Baker, Jon Nelson

Journal:

Comptes Rendus Physique

Year:

2002

Language:

english

File:

PDF, 151 KB

english, 2002

84

Trends in drug overdose deaths in England and Wales 1993–98: methadone does not kill more people than heroin

Matthew Hickman, Peter Madden, John Henry, Allan Baker, Chris Wallace, Jon Wakefield, Gerry Stimson, Paul Elliott

Journal:

Year:

2003

Language:

english

File:

PDF, 123 KB

english, 2003

85

EOM/Propagator ionization potentials: Effect of an extended operator manifold on the predicted valence-shell ionization spectra of ethane, ethylene, and acetylene

Journal:

International Journal of Quantum Chemistry

Year:

1985

Language:

english

File:

PDF, 612 KB

english, 1985

86

A density functional study of chemical reactions

Jan Andzelm, Jon Baker, Andrew Scheiner, Michael Wrinn

Journal:

International Journal of Quantum Chemistry

Year:

1995

Language:

english

File:

PDF, 1.02 MB

english, 1995

87

Classical chemical concepts fromab initioSCF calculations

Journal:

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

Year:

1985

Language:

english

File:

PDF, 357 KB

english, 1985

88

A skills training approach to smoking prevention among hispanic youth

Gilbert J. Botvin, Linda Dusenbury, Eli Baker, Susan James-Ortiz, Jon Kerner

Journal:

Journal of Behavioral Medicine

Year:

1989

Language:

english

File:

PDF, 1.03 MB

english, 1989

89

Winter severity and phenology of spring emergence from the nest in freshwater turtles

Patrick Joseph Baker, John B. Iverson, Richard E. Lee, Jon P. Costanzo

Journal:

Naturwissenschaften (The Science of Nature)

Year:

2010

Language:

english

File:

PDF, 177 KB

english, 2010

90

The ring current in cyclopropane

Patrick W. Fowler, Jon Baker, Mark Lillington

Journal:

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

Year:

2007

Language:

english

File:

PDF, 329 KB

english, 2007

91

The inner-hydrogen migration in free base porphyrin

Jon Baker, Pawel M. Kozlowski, Andrzej A. Jarzecki, Peter Pulay

Journal:

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

Year:

1997

Language:

english

File:

PDF, 609 KB

english, 1997

92

Physiological responses to freezing in hatchlings of freeze-tolerant and -intolerant turtles

Jon P. Costanzo, Patrick J. Baker, Richard E. Lee

Journal:

Journal of Comparative Physiology B

Year:

2006

Language:

english

File:

PDF, 214 KB

english, 2006

93

Oxidative stress and antioxidant capacity of a terrestrially hibernating hatchling turtle

Patrick J. Baker, Jon P. Costanzo, Richard E. Lee

Journal:

Journal of Comparative Physiology B

Year:

2007

Language:

english

File:

PDF, 330 KB

english, 2007

94

Oral malodor reduction by a combination of chemotherapeutical and mechanical treatments

Svetlana Farrell, Robert A. Baker, Marta Somogyi-Mann, Jon J. Witt, Robert W. Gerlach

Journal:

Clinical Oral Investigations

Year:

2006

Language:

english

File:

PDF, 131 KB

english, 2006

95

Kinetically stable high-energy isomers of C14H12and C12H10N2derived fromcis-stilbene andcis-azobenzene

Jon Baker, Krzysztof Wolinski

Journal:

Journal of Molecular Modeling

Year:

2011

Language:

english

File:

PDF, 364 KB

english, 2011

96

Intra-abdominal Hemorrhage Caused by Segmental Arterial Mediolysis of the Inferior Mesenteric Artery: Report of a Case

Daniel S. Rengstorff, Edward L. Baker, Jon Wack, Laurence F. Yee

Journal:

Diseases of the Colon & Rectum

Year:

2004

Language:

english

File:

PDF, 130 KB

english, 2004

97

CT Enterography for Crohn’s Disease: Accurate Preoperative Diagnostic Imaging

Jon Vogel, Andre da Luz Moreira, Mark Baker, Jeffery Hammel, David Einstein, Luca Stocchi, Victor Fazio

Journal:

Diseases of the Colon & Rectum

Year:

2007

Language:

english

File:

PDF, 335 KB

english, 2007

98

Fungal glycoside hydrolases for saccharification of lignocellulose: outlook for new discoveries fueled by genomics and functional studies

Iva Jovanovic, Jon K. Magnuson, Frank Collart, Barbara Robbertse, William S. Adney, Michael E. Himmel, Scott E. Baker

Journal:

Year:

2009

Language:

english

File:

PDF, 258 KB

english, 2009

99

Does CT Influence the Decision to Perform Colectomy in Patients with Severe Ulcerative Colitis?

Andre da Luz Moreira, Jon D. Vogel, Mark Baker, Isabella Mor, Ren Zhang, Victor Fazio

Journal:

Journal of Gastrointestinal Surgery

Year:

2009

Language:

english

File:

PDF, 101 KB

english, 2009

100

Book reviews

Marvin D. Leavy, Kelley Graham, John Feather, J. Kendrick Noble, Richard W. Clement, Richard Abel, Albert N. Greco, Jon Bekken, Robert A. Carter, Sandra Harbert Petrulionis, William Baker

Journal:

Publishing Research Quarterly

Year:

1998

Language:

english

File:

PDF, 1.78 MB

english, 1998