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Robert Ditchfield - Publications

Affiliations: 
Chemistry Dartmouth College, Hanover, NH, United States 
Area:
Theory of magnetic resonance parameters, theoretical studies of carbocation-pi complexation in the gas phase and in solution
Website:
http://www.dartmouth.edu/~chem/faculty/rd.html
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28 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2011 Ditchfield R, Spencer TA. Carbocation-π interaction: The 1,1-dimethylallyl cation and benzene Tetrahedron Letters. 52: 3674-3677. DOI: 10.1016/J.Tetlet.2011.05.036  0.338
2010 Spencer TA, Popovici-Müller J, van Beusichem B, MacMillan CV, Lavey CF, Sin JM, Ditchfield R. Bridged aromatic alkenes for the study of carbocation-π interaction Tetrahedron. 66: 4441-4451. DOI: 10.1016/J.Tet.2010.04.029  0.503
1998 Miklis PC, Ditchfield R, Spencer TA. Carbocation-π interaction: Computational study of complexation of methyl cation with benzene and comparisons with related systems Journal of the American Chemical Society. 120: 10482-10489. DOI: 10.1021/Ja980505D  0.329
1972 Hehre WJ, Ditchfield R, Pople JA. Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules Journal of Chemical Physics. 56: 2257-2261. DOI: 10.1063/1.1677527  0.585
1972 Ditchfield R, Del Bene J, Pople JA. Molecular orbital theory of the electronic structure of organic compounds. XIV. Equilibrium geometries and energies of low-lying excited states Journal of the American Chemical Society. 94: 4806-4811. DOI: 10.1021/Ja00769A002  0.562
1972 Ditchfield R, Del Bene JE, Pople JA. Molecular oribital theory of the electronic structure of organic compounds. IX. n .far..pi.* Transition energies in small molecules Journal of the American Chemical Society. 94: 703-707. DOI: 10.1021/Ja00758A003  0.546
1972 Ditchfield R, Bene JD, Pople JA. Mo-Theorie Der Elektronenstruktur Organischer Verbindungen 14. Mitt. Gleichgewichtsgeometrien Und Niedrige Angeregte Zustaende Cheminform. 3. DOI: 10.1002/Chin.197239083  0.491
1972 Ditchfield R, Bene JED, Pople JA. Mo-Theorie Der Elektronenstruktur Von Organischen Verbindungen 9. Mitt. N-Pi(*)-Uebergangsenergien Kleiner Molekuele Cheminform. 3. DOI: 10.1002/Chin.197216085  0.475
1972 Ditchfield R, Del Bene JE, Pople JA. Molecular orbital theory of the electronic structure of organic compounds. IX. A study of n → π* transition energies in small molecules Journal of the American Chemical Society. 94: 703-707.  0.328
1972 Ditchfield R, Del Bene J, Pople JA. Molecular orbital theory of the electronic structure of organic compounds. XIV. Equilibrium geometries and energies of low-lying excited states Journal of the American Chemical Society. 94: 4806-4811.  0.308
1971 Bene JED, Ditchfield R, Pople JA. Self‐Consistent Molecular Orbital Methods. X. Molecular Orbital Studies of Excited States with Minimal and Extended Basis Sets The Journal of Chemical Physics. 55: 2236-2241. DOI: 10.1063/1.1676398  0.576
1971 Ditchfield R, Hehre WJ, Pople JA. Self‐Consistent Molecular‐Orbital Methods. IX. An Extended Gaussian‐Type Basis for Molecular‐Orbital Studies of Organic Molecules Journal of Chemical Physics. 54: 724-728. DOI: 10.1063/1.1674902  0.57
1971 Ditchfield R, Hehre WJ, Pople JA. Self-consistent molecular-orbital methods. IX. An extended gaussian-type basis for molecular-orbital studies of organic molecules The Journal of Chemical Physics. 54: 720-723.  0.558
1970 Ditchfield R, Ostlund NS, Murrell JN, Turpin MA. Comparison of the sum-over-states and finite perturbation theories of electrical polarizability and nuclear spin-spin coupling Molecular Physics. 18: 433-440. DOI: 10.1080/00268977000100501  0.477
1970 Murrell JN, Turpin MA, Ditchfield R. Sum-over-states calculation of the nuclear spin coupling constant of hydrogen fluoride Molecular Physics. 18: 271-274. DOI: 10.1080/00268977000100281  0.522
1970 Hehre WJ, Ditchfield R, Pople JA. Self‐Consistent Molecular‐Orbital Methods. VIII. Molecular Studies with Least Energy Minimal Atomic Orbitals Journal of Chemical Physics. 53: 932-935. DOI: 10.1063/1.1674159  0.585
1970 Hehre WJ, Ditchfield R, Stewart RF, Pople JA. Self‐Consistent Molecular Orbital Methods. IV. Use of Gaussian Expansions of Slater‐Type Orbitals. Extension to Second‐Row Molecules Journal of Chemical Physics. 52: 2769-2773. DOI: 10.1063/1.1673374  0.586
1970 Ditchfield R, Hehre WJ, Pople JA. Self‐Consistent Molecular Orbital Methods. VI. Energy Optimized Gaussian Atomic Orbitals Journal of Chemical Physics. 52: 5001-5007. DOI: 10.1063/1.1672736  0.553
1970 Hehre WJ, Ditchfield R, Radom L, Pople JA. Molecular orbital theory of the electronic structure of organic compounds. V. Molecular theory of bond separation Journal of the American Chemical Society. 92: 4796-4801. DOI: 10.1021/Ja00719A006  0.561
1970 Ditchfield R, Miller DP, Pople JA. Molecular orbital theory of carbon NMR chemical shifts Chemical Physics Letters. 6: 573-575. DOI: 10.1016/0009-2614(70)85229-0  0.47
1970 Ditchfield R, Hehre WJ, Pople JA, Radom L. Molecular orbital theory of bond separation Chemical Physics Letters. 5: 13-14. DOI: 10.1016/0009-2614(70)80116-6  0.697
1970 RADOM L, POPLE JA, HEHRE WJ, DITCHFIELD R. ChemInform Abstract: MO-THEORIE DER ELEKTRONENSTRUKTUR ORGANISCHER VERBINDUNGEN 4. MITT. INNERE ROTATION IN KOHLENWASSERSTOFFEN MITTELS EINER MINIMAL-BASIS VOM SLATER-TYP 5. MITT. MO-THEORIE DER BINDUNGSTRENNUNG Chemischer Informationsdienst. Organische Chemie. 1: no-no. DOI: 10.1002/Chin.197044100  0.59
1970 Ditchfield R, Hehre WJ, Pople JA. Self-consistent molecular orbital methods. VI. Energy optimized gaussian atomic orbitals The Journal of Chemical Physics. 52: 5001-5007.  0.561
1970 Hehre WJ, Ditchfield R, Stewart RF, Pople JA. Self-consistent molecular orbital methods. IV. Use of gaussian expansions of slatertype orbitals. Extension to second-row molecules The Journal of Chemical Physics. 52: 2763-2768.  0.552
1970 Hehre WJ, Ditchfield R, Pople JA. Self-consistent molecular-orbital methods. VIII. Molecular studies with least energy minimal atomic orbitals The Journal of Chemical Physics. 53: 1059-1065.  0.569
1970 Hehre WJ, Ditchfield R, Radom L, Pople JA. Molecular orbital theory of the electronic structure of organic compounds. V. Molecular theory of bond separation Journal of the American Chemical Society. 92: 4796-4801.  0.591
1968 Ditchfield R, Murrell JN. A CNDO calculation of nuclear spin-spin coupling constants in hydrocarbons Molecular Physics. 14: 481-486. DOI: 10.1080/00268976800100601  0.524
1968 Ditchfield R, Jones GT, Murrell JN. The mechanism of long-range proton-proton coupling Theoretica Chimica Acta. 9: 253-259. DOI: 10.1007/Bf00526604  0.475
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