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woodward-hoffmann rules (27) 27
chemistry (23) 23
woodward–hoffmann rules (20) 20
physical sciences (19) 19
science & technology (19) 19
chemistry, physical (10) 10
pericyclic reactions (9) 9
woodward-hoffmann rule (9) 9
chemistry, multidisciplinary (8) 8
analysis (7) 7
chemical reactions (7) 7
organic chemistry (7) 7
symmetry (7) 7
butadiene (5) 5
conservation of orbital symmetry (5) 5
electrocyclic reactions (5) 5
exact sciences and technology (5) 5
molecular orbitals (5) 5
physics (5) 5
physics, atomic, molecular & chemical (5) 5
reaction mechanisms (5) 5
chemistry, organic (4) 4
cycloaddition (4) 4
mechanochemistry (4) 4
orbital symmetry (4) 4
orbitalsymmetrie (4) 4
ring opening (4) 4
woodward–hoffmann rule (4) 4
conceptual dft (3) 3
electrocyclic ring opening (3) 3
hoffmann-woodward rule (3) 3
orbital symmetry, conservation of (3) 3
organic compounds (3) 3
photochemistry (3) 3
photocycloaddition (3) 3
physical chemistry (3) 3
reaktionsmechanismus (3) 3
stereoselectivity (3) 3
total synthesis (3) 3
1,5-hexadienes (2) 2
2e-4c bond (2) 2
allylic cations (2) 2
berry phase (2) 2
cascade reactions (2) 2
charge transfer (2) 2
chemical bonds (2) 2
chemical properties (2) 2
chemical reaction, conditions and laws of (2) 2
chemische reaktion (2) 2
cobyric acid (2) 2
conical intersection (2) 2
constrictions (2) 2
coriolis coupling (2) 2
coulomb blockade (2) 2
coulomb friction (2) 2
coupled modes (2) 2
coupling (2) 2
curvature coupling (2) 2
cycloaddition reaction (2) 2
cycloaddition reactions (2) 2
cyclobutane dication (2) 2
cyclopentadiene (2) 2
cyclopropan (2) 2
cyclopropane (2) 2
cyclopropane compounds (2) 2
density (2) 2
density functionals (2) 2
diabatic and adiabatic states (2) 2
dimerisation (2) 2
donating mode (2) 2
electrocyclic reaction (2) 2
electrocyclization (2) 2
electron transport (2) 2
electrons (2) 2
electrophilic attack (2) 2
elektronenbanen (2) 2
excited state (2) 2
frozen transition state (2) 2
fysicochemie (2) 2
general and physical chemistry (2) 2
hardness (2) 2
history of chemistry (2) 2
inorganic chemistry (2) 2
intrinsic reaction coordinate (2) 2
inverse marcus region (2) 2
mass-weighted coordinates (2) 2
mechanisch-chemische reaktion (2) 2
nucleophilic attack (2) 2
orbitals (2) 2
organic reaction mechanisms and kinetics (2) 2
organische chemie (2) 2
pericyclic reaction (2) 2
photoswitch (2) 2
physical chemistry of induced reactions (2) 2
physical organic chemistry (2) 2
reaction rate (2) 2
reaction spectator (2) 2
reaction-mechanism (2) 2
reorganization energy (2) 2
research (2) 2
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1. Full Text The Woodward–Hoffmann Rules Reinterpreted by Conceptual Density Functional Theory
by Geerlings, Paul and Ayers, Paul W and Toro-Labbé, Alejandro and Chattaraj, Pratim K and De Proft, Frank
Accounts of chemical research, ISSN 0001-4842, 05/2012, Volume 45, Issue 5, pp. 683 - 695
Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Usage | Analysis | Ethylene | Chemical bonds | Density functionals | Woodward-Hoffmann rules | Chemical properties | Pericyclic reactions | Butadiene | Orbitals | Hueckel theory | Computation | Density functional theory | Wave functions | Carrier density | Density | Symmetry
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2. Full Text Should the Woodward–Hoffmann Rules be Applied to Mechanochemical Reactions?
by Wollenhaupt, Miriam and Krupička, Martin and Marx, Dominik
Chemphyschem, ISSN 1439-4235, 06/2015, Volume 16, Issue 8, pp. 1593 - 1597
reaction mechanisms | Woodward–Hoffmann rules | electronic structure analysis | mechanochemistry | electrocyclic reactions | Woodward-Hoffmann rules | Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Reaction mechanisms | Mechanochemistry | Electronic structure analysis | Electrocyclic reactions | Analysis | Cyclopropane compounds
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3. Full Text Regaining the Woodward-Hoffmann rules for chelotropic reactions via conceptual DFT
by Jaque, Pablo and Correa, José V and De Proft, Frank and Toro-Labbé, Alejandro and Geerlings, Paul
Canadian journal of chemistry, ISSN 0008-4042, 8/2010, Volume 88, Issue 8, pp. 858 - 865
Woodward-Hoffmann rules | théorie de la fonctionnelle de la densité conceptuelle (« DFT » conceptuelle) | conceptual DFT | règles de Woodward-Hoffmann | chelotropic reactions | réactions chélotrope | Chelotropic reactions | Conceptual DFT | Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Density functionals | Chemical reactions | Research | Studies | Theory | Reaction kinetics | Physical chemistry
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4. Orbital symmetry correlations in organic chemistry
: a guide to the Woodward-Hoffman rules
by Entwistle, Norman
1972, ISBN 0442023189, v, 62
Chemical reactions | Molecular orbitals | Chemistry, Organic
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5. Full Text Forcing and Controlling Chemical Reactions with Ultrasound
by Cravotto, Giancarlo and Cintas, Pedro
Angewandte Chemie (International ed.), ISSN 1433-7851, 07/2007, Volume 46, Issue 29, pp. 5476 - 5478
Woodward–Hoffmann rules | mechanochemistry | polymers | isomers | ultrasound | Woodward-Hoffmann rules | Polymers | Isomers | Ultrasound | Mechanochemistry | Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Alkenes - chemistry | Polyethylene Glycols - chemistry | Molecular Structure | Cyclobutanes - chemistry | Ultrasonics | Index Medicus
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6. Full Text Competition between Orbitals and Stress in Mechanochemistry
by Kochhar, Gurpaul S and Bailey, Adrian and Mosey, Nicholas J
Angewandte Chemie (International ed.), ISSN 1433-7851, 10/2010, Volume 49, Issue 41, pp. 7452 - 7455
pericyclic reactions | Woodward–Hoffmann rules | mechanochemistry | computational chemistry | Woodward-Hoffmann rules | Computational chemistry | Pericyclic reactions | Mechanochemistry | Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology
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7. Full Text Modifying Woodward–Hoffmann Stereoselectivity Under Vibrational Strong Coupling
by Sau, Abhijit and Nagarajan, Kalaivanan and Patrahau, Bianca and Lethuillier‐Karl, Lucas and Vergauwe, Robrecht M. A and Thomas, Anoop and Moran, Joseph and Genet, Cyriaque and Ebbesen, Thomas W
Angewandte Chemie (International ed.), ISSN 1433-7851, 03/2021, Volume 60, Issue 11, pp. 5712 - 5717
pericyclic reactions | Woodward–Hoffmann rules | strong coupling | orbital symmetry | electrocyclic ring opening | Stereoselectivity | Coupled modes | Chemical reactions | Selectivity | Coupling | Charge transfer | Ring opening | Symmetry | Index Medicus | or physical chemistry | Chemical Sciences | Theoretical and
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8. Full Text R. B. Woodward, A Great Physical Organic Chemist
by Seeman, Jeffrey I
Journal of physical organic chemistry, ISSN 0894-3230, 09/2014, Volume 27, Issue 9, pp. 708 - 721
Woodward–Hoffmann rules | superconductivity | James Flack Norris Award in Physical Organic Chemistry | Robert Burns Woodward | structure determination | total synthesis | ferrocene | Woodward-Hoffmann rules | Physical Sciences | Chemistry | Chemistry, Organic | Chemistry, Physical | Science & Technology
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9. Full Text Cover Picture: A Study of Electrocyclic Reactions in a Molecular Junction: Mechanistic and Energetic Requirements for Switching in the Coulomb Blockade Regime (ChemPhysChem 12/2017)
by Olsen, Stine T and Brøndsted Nielsen, Mogens and Hansen, Thorsten and Ratner, Mark A and Mikkelsen, Kurt V
Chemphyschem, ISSN 1439-4235, 06/2017, Volume 18, Issue 12, pp. 1491 - 1491
switching | electron transport | Woodward–Hoffmann rules | Coulomb blockade | photoswitch | Constrictions | Switching | Coulomb friction
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10. Full Text Cyclobutane dication, (CH2)42+: a model for a two-electron four-center (2e-4c) Woodward–Hoffmann frozen transition state
by G. K. Surya Prakash and Golam Rasul
Beilstein journal of organic chemistry, ISSN 1860-5397, 07/2019, Volume 15, Issue 1, pp. 1475 - 1479
Woodward–Hoffmann rule | frozen transition state | cyclobutane dication | 2e-4c bond
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11. Full Text Reformulating the woodward-hoffmann rules in a conceptual density functional theory context: The case of sigmatropic reactions
by Sablon, Nick and De Proft, Frank and Geerlings, Paul
Croatica chemica acta, ISSN 0011-1643, 06/2009, Volume 82, Issue 1, pp. 157 - 164
Woodward-Hoffmann rules | Hardness | Conceptual DFT | Sigmatropic reactions | Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Woodward, Robert B | Theorems | Hoffmann, Roald | Chemists | Chemical reactions | Density | Electrons
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12. Full Text Conservation of Orbital Symmetry can be Circumvented in Mechanically Induced Reactions
by Friedrichs, Jana and Lüßmann, Mathias and Frank, Irmgard
Chemphyschem, ISSN 1439-4235, 10/2010, Volume 11, Issue 15, pp. 3339 - 3342
reaction mechanisms | density functional calculations | Woodward–Hoffmann rules | Car–Parrinello molecular dynamics | ring‐opening reactions | Woodward-Hoffmann rules | Density functional calculations | Reaction mechanisms | Ring-opening reactions | Car-Parrinello molecular dynamics | Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Simulation | Conservation
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13. Full Text The extended S1/S0 conical intersection seam for the photochemical 2 + 2 cycloaddition of two ethylene molecules
by Serrano-Pérez, Juan J and Bearpark, Michael J and Robb, Michael A
Molecular physics, ISSN 0026-8976, 10/2012, Volume 110, Issue 19-20, pp. 2493 - 2501
photocycloaddition | Woodward-Hoffmann rules | excited state | conical intersection
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14. Full Text Modifying Woodward–Hoffmann Stereoselectivity Under Vibrational Strong Coupling
by Sau, Abhijit and Nagarajan, Kalaivanan and Patrahau, Bianca and Lethuillier‐Karl, Lucas and Vergauwe, Robrecht M. A and Thomas, Anoop and Moran, Joseph and Genet, Cyriaque and Ebbesen, Thomas W
Angewandte Chemie, ISSN 0044-8249, 03/2021, Volume 133, Issue 11, pp. 5776 - 5781
pericyclic reactions | Woodward–Hoffmann rules | strong coupling | orbital symmetry | electrocyclic ring opening | Stereoselectivity | Coupled modes | Chemical reactions | Selectivity | Coupling | Charge transfer | Ring opening | Symmetry
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15. Full Text A variational transition state theory description of periselectivity effects on cycloadditions of ketenes with cyclopentadiene
by Ramírez-Anguita, Juan Manuel and Ramírez-Anguita, Juan Manuel and Gelabert, Ricard and Gelabert, Ricard and González-Lafont, Àngels and González-Lafont, Àngels and Moreno, Miquel and Moreno, Miquel and Lluch, José M and Lluch, José M
Theoretical chemistry accounts, ISSN 1432-881X, 3/2011, Volume 128, Issue 4, pp. 569 - 577
Theoretical and Computational Chemistry | Woodward–Hoffmann rules | Chemistry | Variational transition state theory | Physical Chemistry | Cycloaddition reaction | Atomic/Molecular Structure and Spectra | Non-symmetrical bifurcating surfaces | Inorganic Chemistry | Organic Chemistry | Woodward-Hoffmann rules | Physical Sciences | Chemistry, Physical | Science & Technology | Cyclopentadiene | Analysis
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16. Full Text Force‐Induced Catastrophes on Energy Landscapes: Mechanochemical Manipulation of Downhill and Uphill Bifurcations Explains the Ring‐Opening Selectivity of Cyclopropanes
by Wollenhaupt, Miriam and Schran, Christoph and Krupička, Martin and Marx, Dominik
Chemphyschem, ISSN 1439-4235, 04/2018, Volume 19, Issue 7, pp. 837 - 847
reaction mechanisms | Woodward–Hoffmann rules | mechanochemistry | electrocyclic reactions | Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Analysis | Cyclopropane compounds | Force and energy | Potential energy | Bromine | Cyclopropane | Fluorine | Chlorine | Substitution reactions | Chemical reactions | Bifurcations | Topology | Iodine | Organic compounds
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17. Full Text Cyclobutane dication, (CH 2 ) 4 2+ : a model for a two-electron four-center (2e-4c) Woodward-Hoffmann frozen transition state
by Prakash, G K Surya and Rasul, Golam
Beilstein journal of organic chemistry, ISSN 1860-5397, 2019, Volume 15, pp. 1475 - 1479
Hydrogen | Carbon
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