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51

The Wolff Rearrangement: The Relevant Portion of the Oxirene-Ketene Potential Energy Hypersurface

Scott, Anthony P., Nobes, Ross H., Schaefer, Henry F., Radom, Leo

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 1.16 MB

english, 1994

52

Hypervalent molecules sulfurane (SH4) and persulfurane (SH6)

Schwenzer, Gretchen M., Schaefer, Henry F. III

Journal:

Journal of the American Chemical Society

Year:

1975

Language:

english

File:

PDF, 641 KB

english, 1975

53

The alkaline earth dimer cations (Be 2+ , Mg 2+ , Ca 2+ , Sr 2+ , and Ba 2+ ). Coupled cluster and full configuration interaction studies †

Li, Huidong, Feng, Hao, Sun, Weiguo, Zhang, Yi, Fan, Qunchao, Peterson, Kirk A., Xie, Yaoming, Schaefer, Henry F.

Journal:

Molecular Physics

Year:

2013

Language:

english

File:

PDF, 113 KB

english, 2013

54

Three isomers of the aluminum-acetylene system

Trenary, Michael, Casida, Mark E., Brooks, Bernard R., Schaefer, Henry F.

Journal:

Journal of the American Chemical Society

Year:

1979

Language:

english

File:

PDF, 303 KB

english, 1979

55

The Road to 13−15 Nano Structures: Structures and Energetics of (MYH 2 ) 4 Tetramers (M = B, Al, Ga; Y = N, P, As)

Timoshkin, Alexey Y., Schaefer, Henry F.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 3.93 MB

english, 2010

56

Protonated Ethane. A Theoretical Investigation of C2H7+ Structures and Energies

Carneiro, Jose Walkimar de M., Schleyer, Paul v. R., Saunders, Martin, Remington, Richard, Schaefer, Henry F., Rauk, Arvi, Sorensen, Theodore S.

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 1.25 MB

english, 1994

57

Bis(cyclobutadiene)nickel: geometrical and electronic structure

Pitzer, Russell M., Goddard, John D., Schaefer, Henry F.

Journal:

Journal of the American Chemical Society

Year:

1981

Language:

english

File:

PDF, 593 KB

english, 1981

58

The regio- and stereospecific selective hydrogenation of .eta.2-coordinated arenes

Harman, W. Dean, Schaefer, William P., Taube, Henry

Journal:

Journal of the American Chemical Society

Year:

1990

Language:

english

File:

PDF, 615 KB

english, 1990

59

Aluminum−Phosphorus Compounds with Low Coordination Numbers: Structures, Energies, and Vibrational Frequencies of the AlPH 2 , AlPH 3 , and AlPH 4 Isomers and the H 3 Al−PH 3 Adduct

Davy, Randall D., Schaefer, Henry F.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 515 KB

english, 1997

60

The Nature of the Gallium−Gallium Triple Bond

Xie, Yaoming, Grev, R. S., Gu, Jiande, Schaefer, Henry F., Schleyer, Paul v. R., Su, Jianrui, Li, Xiao-Wang, Robinson, Gregory H.

Journal:

Journal of the American Chemical Society

Year:

1998

Language:

english

File:

PDF, 160 KB

english, 1998

61

Theoretical characterization of the transition structure for an SN2 reaction at neutral nitrogen

Buhl, Michael, Schaefer, Henry F.

Journal:

Journal of the American Chemical Society

Year:

1993

Language:

english

File:

PDF, 786 KB

english, 1993

62

Bond length and bond multiplicity: ?-bond prevents short ?-bonds

Jemmis, Eluvathingal D., Pathak, Biswarup, King, R. Bruce, Schaefer III, Henry F.

Journal:

Chemical Communications

Year:

2006

Language:

english

File:

PDF, 374 KB

english, 2006

63

Is SH4, the simplest 10-S-4 sulfurane, observable?

Wittkopp, Alexander, Prall, Matthias, Schreiner, Peter R., Schaefer III, Henry F.

Journal:

Physical Chemistry Chemical Physics

Year:

2000

Language:

english

File:

PDF, 233 KB

english, 2000

64

The Li···HF van der Waals minimum and the barrier to the deep HF–Li potential well

Fan, Qunchao, Feng, Hao, Sun, Weiguo, Xie, Yaoming, Wu, Chia-Hua, Allen, Wesley D., Schaefer, Henry F.

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 317 KB

english, 2014

65

Interpretation of excited state Hartree–Fock analytic derivative anomalies for NO2 and HCO2 using the molecular orbital Hessian

Burton, Neil A., Yamaguchi, Yukio, Alberts, Ian L., Schaefer, Henry F.

Journal:

The Journal of Chemical Physics

Year:

1991

Language:

english

File:

PDF, 1.16 MB

english, 1991

66

Paul von Ragué Schleyer (1930–2014)

Schaefer, Henry F.

Journal:

Year:

2014

Language:

english

File:

PDF, 630 KB

english, 2014

67

The ten chemically transparent dinitronaphthalene isomers and their radical anions

Bozkaya, Uğur, Schaefer, Henry F.

Journal:

Molecular Physics

Year:

2010

Language:

english

File:

PDF, 750 KB

english, 2010

68

Restructuring versus Reform

Henry W. Schaefer

Journal:

Year:

1973

Language:

english

File:

PDF, 140 KB

english, 1973

69

Theoretical investigation of the cyclopropene radical cation c-C 3 H +•4 : structure, energetics and spectroscopic properties †

Horný, Ľuboš, Schaefer, Henry F., Ünlü, Fatih, Willeke, Martin

Journal:

Molecular Physics

Year:

2013

Language:

english

File:

PDF, 198 KB

english, 2013

70

A Further Note on High-Priority Goods

Journal:

Year:

1977

Language:

english

File:

PDF, 135 KB

english, 1977

71

Metallocene versus Metallabenzene Isomers of Nickel, Palladium, and Platinum

Zeng, Yi, Feng, Hao, King, R. Bruce, Schaefer, Henry F.

Journal:

Organometallics

Year:

2014

Language:

english

File:

PDF, 2.21 MB

english, 2014

72

Anharmonic vibrational analyses for the 1-silacyclopropenylidene molecule and its three isomers

Wu, Qunyan, Hao, Qiang, Wilke, Jeremiah J., Simmonett, Andrew C., Yamaguchi, Yukio, Li, Qianshu, Fang, De-Cai, Schaefer, Henry F.

Journal:

Molecular Physics

Year:

2012

Language:

english

File:

PDF, 242 KB

english, 2012

73

Exploring the effect of axial ligand substitution (X = Br, NCS, CN) on the photodecomposition and electrochemical activity of [MnX(N–C)(CO) 3 ] complexes

Agarwal, Jay, Stanton III, Charles J., Shaw, Travis W., Vandezande, Jonathon E., Majetich, George F., Bocarsly, Andrew B., Schaefer III, Henry F.

Journal:

Dalton Transactions

Year:

2015

Language:

english

File:

PDF, 1.53 MB

english, 2015

74

Can Density Cumulant Functional Theory Describe Static Correlation Effects?

Mullinax, J. Wayne, Sokolov, Alexander Yu., Schaefer, Henry F.

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 1.09 MB

english, 2015

75

Binuclear pentalene manganese carbonyl complexes: conventional trans and unconventional cis structures

Li, Huidong, Feng, Hao, Sun, Weiguo, Fan, Qunchao, Xie, Yaoming, King, R. Bruce, Schaefer, Henry F.

Journal:

Molecular Physics

Year:

2012

Language:

english

File:

PDF, 1.37 MB

english, 2012

76

Performance of CRONUS-P – A pyroxene reference material for helium isotope analysis

Schaefer, Joerg M., Winckler, Gisela, Blard, Pierre-Henri, Balco, Greg, Shuster, David L., Friedrich, Ronny, Jull, A.J.T., Wieler, Rainer, Schluechter, Christian

Journal:

Quaternary Geochronology

Year:

2016

Language:

english

File:

PDF, 475 KB

english, 2016

77

Psychometric properties of the Sociocultural Attitudes Towards Appearance Questionnaire-4 (SATAQ-4) in French women and men

Rodgers, Rachel F., Schaefer, Lauren M., Thompson, J. Kevin, Girard, Marilou, Bertrand, Mélanie, Chabrol, Henri

Journal:

Year:

2016

Language:

english

File:

PDF, 509 KB

english, 2016

78

Chlorine peroxide (Cl 2 O 2 ) and its isomers: structures, spectroscopy, formation and thermochemistry

Horný, Ľuboš, Quack, Martin, Schaefer, Henry F., Willeke, Martin

Journal:

Molecular Physics

Year:

2016

Language:

english

File:

PDF, 902 KB

english, 2016

79

Extending the Application of Electric Analogy in Oil-reservoir Studies

Schaefer, Henry

Journal:

Transactions of the AIME

Year:

1947

Language:

english

File:

PDF, 507 KB

english, 1947

80

The Structure and Cl-O Dissociation Energy of the ClOO Radical: Finally, The Right Answers for The Right Reason

Abbott, Adam S., Schaefer, Henry F.

Journal:

Journal of Physical Chemistry A

Year:

2018

Language:

english

File:

PDF, 2.35 MB

english, 2018

81

Student-Friendly Guide to Molecular Integrals

Murphy, Kevin V., Turney, Justin M., Schaefer, Henry F.

Journal:

Journal of Chemical Education

Year:

2018

Language:

english

File:

PDF, 1.85 MB

english, 2018

82

The Political Context of Technology Transfer: NASA and the International Space Station

Lambright, W. Henry, Schaefer, Agnes Gereben

Journal:

Comparative Technology Transfer and Society

Year:

2004

Language:

english

File:

PDF, 276 KB

english, 2004

83

Quantum chemistry in the 21st century (Special topic article)

Barden, Christopher J., Schaefer, Henry F.

Journal:

Pure & Applied Chemistry

Year:

2000

Language:

english

File:

PDF, 159 KB

english, 2000

84

Is silver a mere terminal oxidant in palladium catalyzed C–H bond activation reactions?

Bhaskararao, Bangaru, Singh, Sukriti, Anand, Megha, Verma, Pritha, Prakash, Prafull, C, Athira, Malakar, Santanu, Schaefer, Henry F., Sunoj, Raghavan B.

Journal:

Chemical Science

Year:

2020

File:

PDF, 1.59 MB

2020

85

Energetics and mechanisms for the acetonyl radical + O 2 reaction: An important system for atmospheric and combustion chemistry

Weidman, Jared D., Turney, Justin M., Schaefer, Henry F.

Journal:

The Journal of Chemical Physics

Year:

2020

Language:

english

File:

PDF, 1.39 MB

english, 2020

86

Reduced Density Matrix Cumulants: The Combinatorics of Size-Consistency and Generalized Normal Ordering

Misiewicz, Jonathon P., Turney, Justin M., Schaefer, Henry F.

Journal:

Journal of Chemical Theory and Computation

Year:

2020

File:

PDF, 420 KB

2020

87

NMR chemical shielding surface ofN-Acetyl-N?-Methylalaninamide: A density functional study

Sulzbach, Horst M., Vacek, George, Schreiner, Peter R., Galbraith, John Morrison, Schleyer, Paul von R., Schaefer, Henry F.

Journal:

Journal of Computational Chemistry

Year:

1997

Language:

english

File:

PDF, 418 KB

english, 1997

88

Conservation of gene expression during embryonic lens formation and cornea-lens transdifferentiation in Xenopus laevis

Jonathan J. Schaefer, Guillermo Oliver, Jonathan J. Henry

Journal:

Developmental Dynamics

Year:

1999

Language:

english

File:

PDF, 789 KB

english, 1999

89

Book review

Jonathan C. Rienstra-Kiracofe, Henry F. Schaefer III

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 59 KB

english, 1999

90

Kombinatorische Materialforschung und Katalyse

Bernd Jandeleit, Dieter J. Schaefer, Timothy S. Powers, Howard W. Turner, W. Henry Weinberg

Journal:

Angewandte Chemie

Year:

1999

Language:

german

File:

PDF, 2.58 MB

german, 1999

91

Bishomoaromatische Dianionen von 1,2,4-Triboracyclopentanen: starke Dreizentren-Zweielektronen-Bindungen zwischen drei Boratomen

David Scheschkewitz, Abolfazl Ghaffari, Peter Amseis, Markus Unverzagt, Govindan Subramanian, Matthias Hofmann, Paul von Ragué Schleyer, Henry F. Schaefer III, Gertraud Geiseler, Werner Massa, Armin B

Journal:

Angewandte Chemie

Year:

2000

Language:

german

File:

PDF, 116 KB

german, 2000

92

Combinatorial Materials Science and Catalysis

Bernd Jandeleit, Dieter J. Schaefer, Timothy S. Powers, Howard W. Turner, W. Henry Weinberg

Journal:

Angewandte Chemie International Edition

Year:

1999

Language:

english

File:

PDF, 832 KB

english, 1999

93

Bishomoaromatic 1,2,4-Triboracyclopentane Dianions: Strong Three-Center, Two-Electron Bonds between Three Boron Atoms

David Scheschkewitz, Abolfazl Ghaffari, Peter Amseis, Markus Unverzagt, Govindan Subramanian, Matthias Hofmann, Paul von Ragué Schleyer, Henry F. Schaefer III, Gertraud Geiseler, Werner Massa, Armin B

Journal:

Angewandte Chemie International Edition

Year:

2000

Language:

english

File:

PDF, 128 KB

english, 2000

94

Molecules for Materials: Structures, Thermochemistry, and Electron Affinities of the Digermanium Fluorides Ge2Fn/Ge2F (n=1–6): A Wealth of Unusual Structures

Qianshu Li, Guoliang Li, Wenguo Xu, Yaoming Xie, Henry F. Schaefer III

Journal:

Year:

2002

Language:

english

File:

PDF, 1.38 MB

english, 2002

95

The Photohydration of N-Alkylpyridinium Salts: Theory and Experiment

Rollin A. King, Hans P. Lüthi, Henry F. Schaefer, III, Fabrice Glarner, Ulrich Burger

Journal:

Chemistry - A European Journal

Year:

2001

Language:

english

File:

PDF, 190 KB

english, 2001

96

Natriumpentaphosphacyclopentadienid NaP5 und das Pentaphosphacyclopentadienid-Ion P: Theoretische Studien zu Molekülstruktur, IR- und Raman-Spektren

Tracy P. Hamilton, Prof. Henry F. Schaefer III

Journal:

Angewandte Chemie

Year:

1989

Language:

german

File:

PDF, 265 KB

german, 1989

97

Über die BO-Bindungslänge in Oxadiboriranen

Dr. Michael Bühl, Prof. Dr. Henry Frederick Schaefer III, Prof. Dr. Paul Ragué von Schleyer, Dr. Roland Boese

Journal:

Angewandte Chemie

Year:

1993

Language:

german

File:

PDF, 288 KB

german, 1993

98

Aromaticity: The Alternating CC Bond Length Structures of [14]-, [18]-, and [22]Annulene

Chaitanya S. Wannere, Kurt W. Sattelmeyer, Henry F. Schaefer III, Paul von Ragué Schleyer

Journal:

Angewandte Chemie

Year:

2004

Language:

english

File:

PDF, 224 KB

english, 2004

99

Die Vorhersage von Molekülen – mehr Realismus bitte!

Roald Hoffmann, Paul von Ragué Schleyer, Henry F. Schaefer III

Journal:

Angewandte Chemie

Year:

2008

Language:

german

File:

PDF, 397 KB

german, 2008

100

The Inherent Competition between Addition and Substitution Reactions of Br2 with Benzene and Arenes

Jing Kong, Prof. Boris Galabov, Gergana Koleva, Prof. Ji-Jun Zou, Prof. Henry F. Schaefer III, Prof. Paul von Ragué Schleyer

Journal:

Angewandte Chemie

Year:

2011

Language:

english

File:

PDF, 599 KB

english, 2011