Weston Thatcher Borden*: search on Z-Library

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1

Dioxygen: What Makes This Triplet Diradical Kinetically Persistent?

Borden, Weston Thatcher, Hoffmann, Roald, Stuyver, Thijs, Chen, Bo

Journal:

Journal of the American Chemical Society

Year:

2017

Language:

english

File:

PDF, 508 KB

english, 2017

2

Calculations of the Effects of Methyl Groups on the Energy Differences between Cyclooctatetraene and Bicyclo[4.2.0]octa-2,4,7-triene and between Their Iron Tricarbonyl Complexes

Bao, Xiaoguang, Hrovat, David A., Borden, Weston Thatcher

Journal:

Journal of Organic Chemistry

Year:

2012

Language:

english

File:

PDF, 889 KB

english, 2012

3

Effects of electron repulsion in conjugated hydrocarbon diradicals

Borden, Weston Thatcher, Davidson, Ernest R.

Journal:

Journal of the American Chemical Society

Year:

1977

Language:

english

File:

PDF, 1.03 MB

english, 1977

4

Ab initio calculations of the singlet-triplet energy differences in planar 2,4-dimethylenecyclobutane-1,3-diyl and in mono- and dioxo derivatives

Du, Ping, Hrovat, David A., Borden, Weston Thatcher

Journal:

Journal of the American Chemical Society

Year:

1989

Language:

english

File:

PDF, 728 KB

english, 1989

5

The “Bond-Stretched Invertomer” of Hexafluorocyclopropane—a New Type of Reactive Intermediate

Haiyan Wei, David A Hrovat, William R. Dolbier Jr., Bruce E. Smart, Weston Thatcher Borden

Journal:

Angewandte Chemie International Edition

Year:

2007

Language:

english

File:

PDF, 119 KB

english, 2007

6

Violations of Hund's rule in molecules — where to look for them and how to identify them

David A. Hrovat, Weston Thatcher Borden

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 995 KB

english, 1997

7

A Perimidine-Derived Non-Kekulé Triplet Diradical †

Quast, Helmut, Nüdling, Wolfgang, Klemm, Gerhard, Kirschfeld, Andreas, Neuhaus, Patrik, Sander, Wolfram, Hrovat, David A., Borden, Weston Thatcher

Journal:

Journal of Organic Chemistry

Year:

2008

Language:

english

File:

PDF, 198 KB

english, 2008

8

Singlet and triplet excited states of a pyramidalized alkene: Electron-energy-loss spectra, photoelectron spectra, and calculations of the excited states of tricyclo[3.3.3.03,7]undec-3(7)-ene

Christophe Bulliard, Michael Allan*, Joseph M. Smith, David A. Hrovat, Weston Thatcher Borden*, Stefan Grimme

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 170 KB

english, 1997

9

When is allylic resonance unimportant?

Feller, David, Davidson, Ernest R., Borden, Weston Thatcher

Journal:

Journal of the American Chemical Society

Year:

1983

Language:

english

File:

PDF, 306 KB

english, 1983

10

The Ground State of (CS) 4 Is Different from That of (CO) 4 : An Experimental Test of a Computational Prediction by Negative Ion Photoelectron Spectroscopy

Zhang, Jian, Hrovat, David A., Sun, Zhenrong, Bao, Xiaoguang, Borden, Weston Thatcher, Wang, Xue-Bin

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 683 KB

english, 2013

11

Ab Initio Calculations Indicate That a Polar Effect Causes Abstraction of Cubyl Hydrogens from Methylcubane To Be Favored Kinetically

Hrovat, David A., Borden, Weston Thatcher

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 1.20 MB

english, 1994

12

Ab initio calculations on m-quinone. The ground state is a triplet

Fort, Raymond C., Getty, Stephen J., Hrovat, David A., Lahti, Paul M., Borden, Weston Thatcher

Journal:

Journal of the American Chemical Society

Year:

1992

Language:

english

File:

PDF, 561 KB

english, 1992

13

Why Does Perfluorination Render Bicyclo[2.2.0]hex-1(4)-ene Stable toward Dimerization? Calculations Provide the Answers

Shelton, G. Robert, Hrovat, David A., Wei, Haiyan, Borden, Weston Thatcher

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 211 KB

english, 2006

14

Flow system pyrolysis of 7,7-dimethylbicyclo[4.1.1]octa-2,4-diene

Young, Stanley D., Borden, Weston Thatcher

Journal:

Journal of Organic Chemistry

Year:

1980

Language:

english

File:

PDF, 450 KB

english, 1980

15

Generation and chemical trapping of a bis(ethano) derivative of tricyclo[3.3.0.03,7]oct-1(5)-ene. The consummate member of a series of pyramidalized alkenes

Branan, Bruce M., Paquette, Leo A., Hrovat, David A., Borden, Weston Thatcher

Journal:

Journal of the American Chemical Society

Year:

1992

Language:

english

File:

PDF, 1.50 MB

english, 1992

16

Why does tetrafluoroethylene not undergo Diels-Alder reaction with 1,3-butadiene? An ab initio investigation

Getty, Stephen J., Borden, Weston Thatcher

Journal:

Journal of the American Chemical Society

Year:

1991

Language:

english

File:

PDF, 325 KB

english, 1991

17

Heat of Hydrogenation of 1,5-Dehydroquadricyclane. A Computational and Experimental Study of a Highly Pyramidalized Alkene

Hoenigman, Rebecca L., Kato, Shuji, Bierbaum, Veronica M., Borden, Weston Thatcher

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 84 KB

english, 2005

18

Nucleus-independent chemical shift analysis of the electronic states of the (CO) 4 , (CS) 4 , and (CSe) 4 molecules

Zhou, Yunfei, Bao, Xiaoguang, Borden, Weston Thatcher

Journal:

Journal of Computational Chemistry

Year:

2015

Language:

english

File:

PDF, 210 KB

english, 2015

19

Reactions that involve tunneling by carbon and the role that calculations have played in their study

Borden, Weston Thatcher

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Year:

2016

Language:

english

File:

PDF, 905 KB

english, 2016

20

Photoelectron spectroscopy and theoretical studies of PCSe−, AsCS−, AsCSe−, and NCSe−: Insights into the electronic structures of the whole family of ECX− anions

Wang, Xuebin, Yuan, Qinqin, Tambornino, Frank, Hinz, Alexander, Borden, Weston Thatcher, Goicoechea, Jose, Chen, Bo

Journal:

Angewandte Chemie

Year:

2019

Language:

english

File:

PDF, 1.64 MB

english, 2019

21

Cycloaddition of N-phenyltriazolinedione to octamethylsemibullvalene and relative ease of nitrogen extrusion from the derived azo adducts

Y.C Toong, Weston Thatcher Borden, Avram Gold

Journal:

Tetrahedron Letters

Year:

1975

Language:

english

File:

PDF, 206 KB

english, 1975

22

Orbital interactions in molecules containing unsaturatively bridged cyclobutane and bicyclobutane rings

William L. Jorgensen, Weston Thatcher Borden

Journal:

Tetrahedron Letters

Year:

1975

Language:

english

File:

PDF, 204 KB

english, 1975

23

Attempted preparation of 5,5-difluoro-1,4-diphenylbicyclo[2.1.0]pentane -- serendipitous synthesis of 1,3-difluoro-2,4-diphenylbenzene

Scott B. Lewis, Weston Thatcher Borden

Journal:

Tetrahedron Letters

Year:

1994

Language:

english

File:

PDF, 208 KB

english, 1994

24

A synthesis of optically active 1, 3-DI-t-butylallene from propargylic derivatives by hydride displacement

Weston Thatcher Borden, E.J. Corey

Journal:

Tetrahedron Letters

Year:

1969

Language:

english

File:

PDF, 217 KB

english, 1969

25

A new synthesis of bicyclo[4.1.1]octa-2,4-diene and its cycloaddition reactions with dienophiles

Yin, Tyze Kuan, Lee, Jon Gun, Borden, Weston Thatcher

Journal:

Journal of Organic Chemistry

Year:

1985

Language:

english

File:

PDF, 593 KB

english, 1985

26

Why Is (SiO) 4 Calculated To Be Tetrahedral, Whereas (CO) 4 Is Square Planar? A Molecular Orbital Analysis

Kozuch, Sebastian, Hrovat, David A., Borden, Weston Thatcher

Journal:

Journal of the American Chemical Society

Year:

2013

Language:

english

File:

PDF, 1.71 MB

english, 2013

27

Calculations of the Effects of Substituents on Bond Localization in Annelated Cyclopentadienyl Radicals

Zhou, Xin, Hrovat, David A., Borden, Weston Thatcher

Journal:

Journal of the American Chemical Society

Year:

2007

Language:

english

File:

PDF, 338 KB

english, 2007

28

Ab Initio Calculations on Spiropentane Stereomutations Lead to a Reinterpretation of the Experimental Results

Johnson, William T. G., Hrovat, David A., Borden, Weston Thatcher

Journal:

Journal of the American Chemical Society

Year:

1999

Language:

english

File:

PDF, 125 KB

english, 1999

29

The Negative Ion Photoelectron Spectrum of Cyclopropane-1,2,3-Trione Radical Anion, (CO) 3•– — A Joint Experimental and Computational Study

Chen, Bo, Hrovat, David A., West, Robert, Deng, Shihu H. M., Wang, Xue-Bin, Borden, Weston Thatcher

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 1.21 MB

english, 2014

30

Electron repulsion pericyclic transition states

Borden, Weston Thatcher., Salem, Lionel.

Journal:

Journal of the American Chemical Society

Year:

1973

Language:

english

File:

PDF, 267 KB

english, 1973

31

The Importance of Including Dynamic Electron Correlation in ab Initio Calculations

Borden, Weston Thatcher, Davidson, Ernest R.

Journal:

Accounts of Chemical Research

Year:

1996

Language:

english

File:

PDF, 200 KB

english, 1996

32

Experimental Evidence for Heavy-Atom Tunneling in the Ring-Opening of Cyclopropylcarbinyl Radical from Intramolecular 12 C/ 13 C Kinetic Isotope Effects

Gonzalez-James, Ollie M., Zhang, Xue, Datta, Ayan, Hrovat, David A., Borden, Weston Thatcher, Singleton, Daniel A.

Journal:

Journal of the American Chemical Society

Year:

2010

Language:

english

File:

PDF, 194 KB

english, 2010

33

Why is the .pi. bond in tetrafluoroethylene weaker than that in ethylene? An ab initio investigation

Wang, Shih Yung, Borden, Weston Thatcher

Journal:

Journal of the American Chemical Society

Year:

1989

Language:

english

File:

PDF, 312 KB

english, 1989

34

Calculations on 1,8-naphthoquinone predict that the ground state of this diradical is a singlet

Hrovat, David A., Wang, Xue-Bin, Borden, Weston Thatcher

Journal:

Journal of Computational Chemistry

Year:

2018

Language:

english

File:

PDF, 965 KB

english, 2018

35

Effects of filled .pi. and unfilled .sigma. molecular orbital interactions on molecular structure

Cherry, William, Epiotis, Nicholas, Borden, Weston Thatcher

Journal:

Accounts of Chemical Research

Year:

1977

Language:

english

File:

PDF, 888 KB

english, 1977

36

Evidence for the Formation of the (Ph 3 P) 2 Pt Complex of 3,7-Dimethyltricyclo[3.3.0.0 3,7 ]oct-1(5)-ene, the Most Highly Pyramidalized Alkene in a Homologous Series. Isolation and X-ray Structure of the Product of the Ethanol Addition to the Complex

Theophanous, Fanitsa A., Tasiopoulos, Anastasios J., Nicolaides, Athanassios, Zhou, Xin, Johnson, William T. G., Borden, Weston Thatcher

Journal:

Organic Letters

Year:

2006

Language:

english

File:

PDF, 100 KB

english, 2006

37

Allylic resonance - when is it unimportant?

Feller, David, Davidson, Ernest R., Borden, Weston Thatcher

Journal:

Journal of the American Chemical Society

Year:

1984

Language:

english

File:

PDF, 928 KB

english, 1984

38

The potential surface for the cyclobutadiene radical cation

Borden, Weston Thatcher, Davidson, Ernest R., Feller, David

Journal:

Journal of the American Chemical Society

Year:

1981

Language:

english

File:

PDF, 724 KB

english, 1981

39

Calculations of the Effect of Tunneling on the Swain−Schaad Exponents (SSEs) for the 1,5-Hydrogen Shift in 5-Methyl-1,3-cyclopentadiene. Can SSEs Be Used to Diagnose the Occurrence of Tunneling?

Shelton, G. Robert, Hrovat, David A., Borden, Weston Thatcher

Journal:

Journal of the American Chemical Society

Year:

2007

Language:

english

File:

PDF, 68 KB

english, 2007

40

Investigation of Cyclopropane Stereomutation by Quasiclassical Trajectories on an Analytical Potential Energy Surface

Hrovat, David A., Fang, Shu, Borden, Weston Thatcher, Carpenter, Barry K.

Journal:

Journal of the American Chemical Society

Year:

1997

Language:

english

File:

PDF, 44 KB

english, 1997

41

CASSCF and CASPT2 Ab Initio Electronic Structure Calculations Find Singlet Methylnitrene Is an Energy Minimum

Kemnitz, Carl R., Ellison, G. Barney, Karney, William L., Borden, Weston Thatcher

Journal:

Journal of the American Chemical Society

Year:

2000

Language:

english

File:

PDF, 52 KB

english, 2000

42

[Advances in Physical Organic Chemistry] Volume 51 || Negative Ion Photoelectron Spectroscopy and Its Use in Investigating the Transition States for Some Organic Reactions

Borden, Weston Thatcher

Year:

2017

Language:

english

File:

PDF, 2.11 MB

english, 2017

43

NMR and molecular mechanics studies of the conformational dynamics of tricyclo[3.3.3.03,7]undecane derivatives

Joseph M. Smith, David A. Hrovat, Weston Thatcher Borden

Journal:

Tetrahedron Letters

Year:

1993

Language:

english

File:

PDF, 281 KB

english, 1993

44

Calculations on Tunneling in the Reactions of Noradamantyl Carbenes

Kozuch, Sebastian, Zhang, Xue, Hrovat, David A., Borden, Weston Thatcher

Journal:

Journal of the American Chemical Society

Year:

2013

Language:

english

File:

PDF, 438 KB

english, 2013

45

Ab Initio Calculations of the Potential Surface for Rearrangement of 2,2,3,3-Tetrafluoromethylenecyclopropane to 1-(Difluoromethylene)-2,2-difluorocyclopropane

Wei, Haiyan, Hrovat, David A., Borden, Weston Thatcher

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 216 KB

english, 2006

46

Trapping of tricyclo[3.3.1.03,7]non-3(7)-ene with (Ph3P)2Pt. Structure of the (Ph3P)2Pt complex of a highly pyramidalized alkene

Kumar, Alok, Lichtenhan, Joseph D., Critchlow, Susan C., Eichinger, B. E., Borden, Weston Thatcher

Journal:

Journal of the American Chemical Society

Year:

1990

Language:

english

File:

PDF, 280 KB

english, 1990

47

Ab Initio Calculations of the Potential Surfaces for the Lowest Singlet and Triplet States of 2,2-Difluorocyclopentane-1,3-diyl. The singlet Diradical Lies Below the Triplet

Xu, Jing Dong, Hrovat, David A., Borden, Weston Thatcher

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 391 KB

english, 1994

48

Computational Study of Isomerization Reactions of Silacyclopropene

Skancke, Per N., Hrovat, David A., Borden, Weston Thatcher

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 84 KB

english, 1999

49

Stereochemistry of the thermal and photochemical rearrangement of 7,7-dimethylbicyclo[4.1.1]octa-2,4-diene to 8,8-dimethylbicyclo[5.1.0]octa-2,4-diene

Borden, Weston Thatcher, Lee, Jon Gun, Young, Stanley D.

Journal:

Journal of the American Chemical Society

Year:

1980

Language:

english

File:

PDF, 430 KB

english, 1980

50

Attempts to model neutral solitons in polyacetylene by ab initio and density functional methods. The nature of the spin distribution in polyenyl radicals

Bally, Thomas, Hrovat, David A., Thatcher Borden, Weston

Journal:

Physical Chemistry Chemical Physics

Year:

2000

Language:

english

File:

PDF, 272 KB

english, 2000

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