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1

How Alkyl Halide Structure Affects E2 and S N 2 Reaction Barriers: E2 Reactions Are as Sensitive as S N 2 Reactions

Rablen, Paul R., McLarney, Brett D., Karlow, Brandon J., Schneider, Jean E.

Journal:

Journal of Organic Chemistry

Year:

2014

Language:

english

File:

PDF, 2.46 MB

english, 2014

2

Computational assessment of thioether isosteres

Barrows, Robert D., Blacklock, Kristin M., Rablen, Paul R., Khare, Sagar D., Knapp, Spencer

Journal:

Journal of Molecular Graphics and Modelling

Year:

2018

Language:

english

File:

PDF, 3.84 MB

english, 2018

3

How the arrangement of alkyl substituents affects the stability of delocalized carbocations

Rablen, Paul R., Perry-Freer, Nathalie Abigail

Journal:

Journal of Organic Chemistry

Year:

2018

Language:

english

File:

PDF, 669 KB

english, 2018

4

GlcNAc-Thiazoline conformations

Spencer Knapp, David Fash, Mohannad Abdo, Thomas J. Emge, Paul R. Rablen

Journal:

Bioorganic & Medicinal Chemistry

Year:

2009

Language:

english

File:

PDF, 433 KB

english, 2009

5

Substituent Effects. 7. Phenyl Derivatives. When Is a Fluorine a π-Donor?

Wiberg, Kenneth B., Rablen, Paul R.

Journal:

Journal of Organic Chemistry

Year:

1998

Language:

english

File:

PDF, 252 KB

english, 1998

6

Atomic Charges

Wiberg, Kenneth B, Rablen, Paul R.

Journal:

Journal of Organic Chemistry

Year:

2018

Language:

english

File:

PDF, 402 KB

english, 2018

7

Why Does Thioformamide Have a Larger Rotational Barrier Than Formamide?

Wiberg, Kenneth B., Rablen, Paul R.

Journal:

Journal of the American Chemical Society

Year:

1995

Language:

english

File:

PDF, 1.05 MB

english, 1995

8

Is the Acetate Anion Stabilized by Resonance or Electrostatics? A Systematic Structural Comparison

Rablen, Paul R.

Journal:

Journal of the American Chemical Society

Year:

2000

Language:

english

File:

PDF, 372 KB

english, 2000

9

Butadiene and Heterodienes Revisited

Wiberg, Kenneth B, Rablen, Paul R., Baraban, Joshua H.

Journal:

Journal of Organic Chemistry

Year:

2018

Language:

english

File:

PDF, 929 KB

english, 2018

10

Spontaneous transfer of chirality in an atropisomerically enriched two-axis system

Barrett, Kimberly T., Metrano, Anthony J., Rablen, Paul R., Miller, Scott J.

Journal:

Year:

2014

Language:

english

File:

PDF, 855 KB

english, 2014

11

Computational Analysis of the Solvent Effect on the Barrier to Rotation about the Conjugated C−N Bond in Methyl N , N -Dimethylcarbamate

Rablen, Paul R.

Journal:

Journal of Organic Chemistry

Year:

2000

Language:

english

File:

PDF, 119 KB

english, 2000

12

Butadiene. 2. Examination of the energetic preference for coplanarity of double bonds. Comparison of butadiene, acrolein, and vinylamine

Wiberg, Kenneth B., Rosenberg, Robert E., Rablen, Paul R.

Journal:

Journal of the American Chemical Society

Year:

1991

Language:

english

File:

PDF, 1.03 MB

english, 1991

13

N -Methylimidazole Promotes the Reaction of Homophthalic Anhydride with Imines

Liu, Jian, Wang, Zheng, Levin, Aaron, Emge, Thomas J., Rablen, Paul R., Floyd, David M., Knapp, Spencer

Journal:

Journal of Organic Chemistry

Year:

2014

Language:

english

File:

PDF, 1.04 MB

english, 2014

14

Substituent effects. 5. Vinyl and ethynyl derivatives. An examination of the interaction of amino and hydroxy groups with carbon-carbon double and triple bonds

Wiberg, Kenneth B., Rablen, Paul R.

Journal:

Journal of the American Chemical Society

Year:

1993

Language:

english

File:

PDF, 983 KB

english, 1993

15

Large Effect on Borane Bond Dissociation Energies Resulting from Coordination by Lewis Bases

Rablen, Paul R.

Journal:

Journal of the American Chemical Society

Year:

1997

Language:

english

File:

PDF, 440 KB

english, 1997

16

A complex stereochemical relay approach to the antimalarial alkaloid ocimicide A 1 . Evidence for a structural revision.

Nikolayevskiy, Herman, Tun, Kyaw Moe, Rablen, Paul R, Ben Mamoun, Choukri, Herzon, Seth

Journal:

Chemical Science

Year:

2017

Language:

english

File:

PDF, 1.30 MB

english, 2017

17

Comparison of atomic charges derived via different procedures

Kenneth B. Wiberg, Paul R. Rablen

Journal:

Journal of Computational Chemistry

Year:

1993

Language:

english

File:

PDF, 1.33 MB

english, 1993

18

Synthesis and Characterization of (pyNO−)2GaCl: A Redox-Active Gallium Complex

Kirsh, Jacob, Woodside, Audra, Manor, Brian, Carroll, Patrick, Rablen, Paul, Graves, Christopher

Journal:

Year:

2018

Language:

english

File:

PDF, 2.54 MB

english, 2018

19

Synthesis of Trialkylamines with Extreme Steric Hindrance and Their Decay by a Hofmann-like Elimination Reaction

Banert, Klaus, Hagedorn, Manfred, Heck, Manuel, Hertel, Raphael, Ihle, Andreas, MÃ¼ller, Ioana, Pester, Tom, Shoker, Tharallah, Rablen, Paul R.

Journal:

Journal of Organic Chemistry

Year:

2020

File:

PDF, 1.09 MB

2020

20

Quantum-Chemical Simulation of 1 H NMR Spectra. 2.† Comparison of DFT-Based Procedures for Computing Proton–Proton Coupling Constants in Organic Molecules

Bally, Thomas, Rablen, Paul R.

Journal:

Journal of Organic Chemistry

Year:

2011

Language:

english

File:

PDF, 2.71 MB

english, 2011

21

Directed Ring-Opening of 1,5-Dioxaspiro[3.2]hexanes: Selective Formation of 2,2-Disubstituted Oxetanes

Taboada, Rosa, Ordonio, Grace G., Ndakala, Albert J., Howell, Amy R., Rablen, Paul R.

Journal:

Journal of Organic Chemistry

Year:

2003

Language:

english

File:

PDF, 254 KB

english, 2003

22

Accurate Borane Sequential Bond Dissociation Energies by High-Level ab Initio Computational Methods

Rablen, Paul R., Hartwig, John F.

Journal:

Journal of the American Chemical Society

Year:

1996

Language:

english

File:

PDF, 196 KB

english, 1996

23

Evaluation of 1,1-cyclopropylidene as a thioether isostere in the 4-thio-thienopyrimidine (TTP) series of antimalarials

Barrows, Robert D., Hammill, Jared T., Tran, Michael C., Falade, Mofolusho O., Rice, Amy L., Davis, Christopher W., Emge, Thomas J., Rablen, Paul R., Kiplin Guy, R., Knapp, Spencer

Journal:

Bioorganic & Medicinal Chemistry

Year:

2020

File:

PDF, 1.13 MB

2020

24

Substituent effects. 4. Nature of substituent effects at carbonyl groups

Wiberg, Kenneth B., Hadad, Christopher M., Rablen, Paul R., Cioslowski, Jerzy

Journal:

Journal of the American Chemical Society

Year:

1992

Language:

english

File:

PDF, 1.22 MB

english, 1992

25

Why Doesn't all - trans -1,2,3,4,5,6-Hexaspiro(THF)cyclohexane Complex Metal Ions?

Rablen, Paul R., Paquette, Leo A., Borden, Weston Thatcher

Journal:

Journal of Organic Chemistry

Year:

2000

Language:

english

File:

PDF, 181 KB

english, 2000

26

Origin of the stability of carbon tetrafluoride: negative hyperconjugation reexamined

Wiberg, Kenneth B., Rablen, Paul R.

Journal:

Journal of the American Chemical Society

Year:

1993

Language:

english

File:

PDF, 1.56 MB

english, 1993

27

Ab Initio and Density Functional Calculations of 19 F NMR Chemical Shifts for Models of Carbonic Anhydrase Inhibitors

DerHovanessian, Ariss, Rablen, Paul R., Jain, Ahamindra

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 87 KB

english, 2000

28

Synthesis and Characterization of a Tripodal Tris(nitroxide) Aluminum Complex and Its Catalytic Activity toward Carbonyl Hydroboration

Woodside, Audra J., Smith, Mackinsey A., Herb, Thomas M., Manor, Brian C., Carroll, Patrick J., Rablen, Paul R., Graves, Christopher R.

Journal:

Organometallics

Year:

2019

Language:

english

File:

PDF, 659 KB

english, 2019

29

Increase in Strain Energy on Going from [4.4.4.5]Fenestrane to [4.4.4.4]Fenestrane A Method for Estimating the Heats of Formation of Hydrocarbons and their Derivatives from ab Initio Energies

Wiberg, Kenneth B, Rablen, Paul R.

Journal:

Journal of Organic Chemistry

Year:

2020

File:

PDF, 273 KB

2020

30

On the Origin of Conformational Kinetic Isotope Effects

Prof. Daniel J. O'Leary, Prof. Paul R. Rablen, Prof. Matthew P. Meyer

Journal:

Angewandte Chemie International Edition

Year:

2011

Language:

english

File:

PDF, 381 KB

english, 2011

31

Resonance interactions in acyclic systems. 5. Structures, charge distributions, and energies of some heterobutadiene rotamers

Wiberg, Kenneth B., Rablen, Paul R., Marquez, Manuel

Journal:

Journal of the American Chemical Society

Year:

1992

Language:

english

File:

PDF, 1.60 MB

english, 1992

32

Computational Modeling of a Stereoselective Epoxidation: Reaction of Carene with Peroxyformic Acid

Koskowich, Stephanie M., Johnson, Winslow C., Paley, Robert S., Rablen, Paul R.

Journal:

Journal of Organic Chemistry

Year:

2008

Language:

english

File:

PDF, 258 KB

english, 2008

33

Simultaneous and Stereoselective Formation of Planar and Axial Chiralities in Enantiopure Sulfinyl Iron Diene Complexes

Paley, Robert S., Liu, Jane M., Lichtenstein, Bruce R., Knoedler, Vanessa L., Sanan, Toby T., Adams, Drew J., Fernández, Jorge, Rablen, Paul R.

Journal:

Organic Letters

Year:

2003

Language:

english

File:

PDF, 117 KB

english, 2003

34

A Comparison of Density Functional Methods for the Estimation of Proton Chemical Shifts with Chemical Accuracy

Rablen, Paul R., Pearlman, Shoshannah A., Finkbiner, John

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 107 KB

english, 1999

35

Rotamer-Restricted Fluorogenicity of the Bis-Arsenical ReAsH

Walker, Allison S., Rablen, Paul X., Schepartz, Alanna

Journal:

Journal of the American Chemical Society

Year:

2016

Language:

english

File:

PDF, 4.80 MB

english, 2016

36

OGA inhibition by GlcNAc-selenazoline

Eun Ju Kim, Dona C. Love, Etzer Darout, Mohannad Abdo, Brian Rempel, Stephen G. Withers, Paul R. Rablen, John A. Hanover, Spencer Knapp

Journal:

Bioorganic & Medicinal Chemistry

Year:

2010

Language:

english

File:

PDF, 951 KB

english, 2010

37

Access to Oxetane-Containing psico -Nucleosides from 2-Methyleneoxetanes: A Role for Neighboring Group Participation?

Liang, Yanke, Hnatiuk, Nathan, Rowley, John M., Whiting, Bryan T., Coates, Geoffrey W., Rablen, Paul R., Morton, Martha, Howell, Amy R.

Journal:

Journal of Organic Chemistry

Year:

2011

Language:

english

File:

PDF, 702 KB

english, 2011

38

Cyclic ketals of 9-fluorenone: Advanced organic laboratory exercise in synthesis and stereochemical analysis using 13C NMR

Rablen, Paul R., Deuber, Mark A., Lim, Ai Ching, Dickson, Robert M., Wintner, Claude E.

Journal:

Journal of Chemical Education

Year:

1991

Language:

english

File:

PDF, 1.50 MB

english, 1991

39

ChemInform Abstract: N-Methylimidazole Promotes the Reaction of Homophthalic Anhydride with Imines.

Liu, Jian, Wang, Zheng, Levin, Aaron, Emge, Thomas J., Rablen, Paul R., Floyd, David M., Knapp, Spencer

Journal:

Year:

2015

File:

PDF, 18 KB

2015

40

Hydroheteroarylation of Unactivated Alkenes Using N -Methoxyheteroarenium Salts

Ma, Xiaoshen, Dang, Hester, Rose, John A., Rablen, Paul, Herzon, Seth B.

Journal:

Journal of the American Chemical Society

Year:

2017

Language:

english

File:

PDF, 2.69 MB

english, 2017

41

Directed Ring-Opening of 1,5-Dioxaspiro[3.2]hexanes: Selective Formation of 2,2-Disubstituted Oxetanes.

Rosa Taboada, Grace G. Ordonio, Albert J. Ndakala, Amy R. Howell, Paul R. Rablen

Journal:

Year:

2003

File:

PDF, 91 KB

2003

42

Amide Neighbouring Group Effects in Peptides: Phenylalanine as Relay Amino Acid in Long-Distance Electron Transfer

Wille, Uta, Nathanael, Joses, Gamon, Luke, Cordes, Meike, Rablen, Paul, Bally, Thomas, Fromm, Katharina, Giese, Bernd

Journal:

Year:

2018

Language:

english

File:

PDF, 3.90 MB

english, 2018

43

Optimized End-Stacking Provides Specificity of N -Methyl Mesoporphyrin IX for Human Telomeric G-Quadruplex DNA

Nicoludis, John M., Miller, Stephen T., Jeffrey, Philip D., Barrett, Steven P., Rablen, Paul R., Lawton, Thomas J., Yatsunyk, Liliya A.

Journal:

Journal of the American Chemical Society

Year:

2012

Language:

english

File:

PDF, 8.87 MB

english, 2012

44

Solvent Effects on the Barrier to C−N Bond Rotation in N , N -Dimethylaminoacrylonitrile

Rablen, Paul R., Miller, Deborah A., Bullock, Valerie R., Hutchinson, Peter H., Gorman, Jessica A.

Journal:

Journal of the American Chemical Society

Year:

1999

Language:

english

File:

PDF, 115 KB

english, 1999

45

Solvent Effects on the Barrier to C−N Bond Rotation in N , N -Dimethylaminoacrylonitrile: Modeling by Reaction Field Theory and by Monte Carlo Simulations

Rablen, Paul R., Pearlman, Shoshannah A., Miller, Deborah A.

Journal:

Journal of the American Chemical Society

Year:

1999

Language:

english

File:

PDF, 114 KB

english, 1999

46

Is hyperconjugation responsible for the “gauche effect” in 1-fluoropropane and other 2-substituted-1-fluoroethanes? †

Rablen, Paul R., Hoffmann, Reinhard W., Hrovat, David A., Borden, Weston Thatcher

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1999

Language:

english

File:

PDF, 185 KB

english, 1999

47

Methoxymethane C-O Bond Stengths: Do Their Changes Result from Hyperconjugation or Polar Effects?

Wiberg, Kenneth B, Rablen, Paul R.

Journal:

Journal of Physical Chemistry A

Year:

2018

Language:

english

File:

PDF, 540 KB

english, 2018

48

Amides. 3. Experimental and Theoretical Studies of the Effect of the Medium on the Rotational Barriers for N,N-Dimethylformamide and N,N-Dimethylacetamide

Wiberg, Kenneth B., Rablen, Paul R., Rush, Daniel J., Keith, Todd A.

Journal:

Journal of the American Chemical Society

Year:

1995

Language:

english

File:

PDF, 1.64 MB

english, 1995

49

Computational Investigation of the Mechanism of Addition of Singlet Carbenes to Bicyclobutanes

Rablen, Paul R., Paiz, Adam A., Thuronyi, Benjamin W., Jones, Maitland

Journal:

Journal of Organic Chemistry

Year:

2009

Language:

english

File:

PDF, 1.03 MB

english, 2009

50

Ab Initio Study of Hydrogen-Bonded Complexes of Small Organic Molecules with Water

Rablen, Paul R., Lockman, Jeffrey W., Jorgensen, William L.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 212 KB

english, 1998

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