Year |
Citation |
Score |
2017 |
Assaf KI, Florea M, Antony J, Henriksen NM, Yin J, Hansen A, Qu ZW, Sure R, Klapstein D, Gilson MK, Grimme S, Nau WM. The HYDROPHOBE Challenge: A Joint Experimental and Computational Study on the Host-Guest Binding of Hydrocarbons to Cucurbiturils Allowing Explicit Evaluation of Guest Hydration Free Energy Contributions. The Journal of Physical Chemistry. B. PMID 29140701 DOI: 10.1021/Acs.Jpcb.7B09175 |
0.493 |
|
2014 |
Duxbury G, Jungen C, Alijah A, Maier JP, Klapstein D. The renner-teller effect observed in the à A1 and X B1 electronic states of H2S+ Molecular Physics. 112: 3072-3084. DOI: 10.1080/00268976.2014.931602 |
0.521 |
|
2012 |
Pasinszki T, Vass G, Klapstein D, Westwood NP. Generation, spectroscopy, and structure of cyanoformyl chloride and cyanoformyl bromide, XC(O)CN. The Journal of Physical Chemistry. A. 116: 3396-403. PMID 22409314 DOI: 10.1021/Jp301528Q |
0.423 |
|
2010 |
BALFOUR WJ, FOUGERE SG, KLAPSTEIN D, NAU WM. ChemInform Abstract: Vibrational Spectra of Acetyl Isocyanate and Mono-, Di- and Trichloroacetyl Isocyanates Cheminform. 25: no-no. DOI: 10.1002/CHIN.199403035 |
0.571 |
|
2009 |
Pye CC, Poirier RA, Burnell DJ, Klapstein D. An ab initio study of 5,6-disubstituted 1,3-cyclohexadienes Journal of Molecular Structure: Theochem. 909: 66-74. DOI: 10.1016/J.Theochem.2009.05.027 |
0.335 |
|
2008 |
Schuquel IT, Ducati LC, Custodio R, Rittner R, Klapstein D. An investigation of the electronic structure of some 3-monosubstituted-2-methylpropenes through computational chemistry and photoelectron spectroscopy Chemical Physics. 349: 263-268. DOI: 10.1016/J.Chemphys.2008.02.052 |
0.403 |
|
2002 |
Klapstein D, Pischel U, Nau WM. Quenching of n,pi*-excited states in the gas phase: variations in absolute reactivity and selectivity. Journal of the American Chemical Society. 124: 11349-57. PMID 12236750 DOI: 10.1021/Ja020400H |
0.55 |
|
1997 |
Nau WM, Adam W, Klapstein D, Sahin C, Walter H. Correlation of Oxidation and Ionization Potentials for Azoalkanes The Journal of Organic Chemistry. 62: 5128-5132. DOI: 10.1021/Jo970574V |
0.521 |
|
1996 |
Campbell J, Klapstein D, Bernath PF, Davis WM, Oakley RT, Goddard JD. Electronic Excitation of the 1,2,3,5-Dithiadiazolyl Radical. A Spectroscopic and Theoretical Analysis. Inorganic Chemistry. 35: 4264-4266. PMID 11666638 DOI: 10.1021/Ic951512V |
0.321 |
|
1995 |
Campbell JM, Klapstein D, Dulick M, Bernath PF, Wallace L. Infrared Absorption and Emission Spectra of SiO Astrophysical Journal Supplement Series. 101: 237. DOI: 10.1086/192238 |
0.37 |
|
1995 |
Adam W, Fragale G, Klapstein D, Nau WM, Wirz J. Phosphorescence and Transient Absorption of Azoalkane Triplet States Journal of the American Chemical Society. 117: 12578-12592. DOI: 10.1021/Ja00155A022 |
0.53 |
|
1995 |
Campbell NL, Gillis CJ, Klapstein D, Nau WM, Balfour WJ, Fougère SG. Vibrational spectra and conformational behaviour of carbonyl isothiocyanates XCONCS, XF, Cl, Br, MeO, EtO, and acetyl isothiocyanate CH3CONCS Spectrochimica Acta Part a: Molecular and Biomolecular Spectroscopy. 51: 787-798. DOI: 10.1016/0584-8539(94)00199-L |
0.605 |
|
1994 |
Watson JKG, Vervloet M, Rostas J, Klapstein D. Analysis of low-J perturbations in the [Btilde](000)2Σu + electronic state of the CO2 + molecular ion Molecular Physics. 83: 211-233. DOI: 10.1080/00268979400101211 |
0.41 |
|
1994 |
Klapstein D, Nau WM. Spectroscopy of acyl and carbonyl isocyanates Spectrochimica Acta Part a: Molecular Spectroscopy. 50: 307-316. DOI: 10.1016/0584-8539(94)80059-6 |
0.605 |
|
1994 |
Balfour WJ, Fougere SG, Klapstein D, Nau WM. The infrared and Raman spectra of carbonyl diisocyanate Spectrochimica Acta Part a: Molecular Spectroscopy. 50: 1039-1046. DOI: 10.1016/0584-8539(94)80025-1 |
0.623 |
|
1994 |
Klapstein D, Nau WM. Variable temperature infrared spectroscopy of chlorocarbonyl isocyanate Cl-CO-NCO and the effect of polarizable substituents on the conformations of carbonyl isocyanates and isothiocyanates Journal of Molecular Structure. 317: 59-67. DOI: 10.1016/0022-2860(93)07865-T |
0.583 |
|
1993 |
Balfour WJ, Fougere SG, Klapstein D, Nau WM. The infrared and Raman spectra of methoxycarbonyl and thiomethoxycarbonyl isocyanates Canadian Journal of Chemistry. 71: 1627-1631. DOI: 10.1139/V93-203 |
0.59 |
|
1993 |
Campbell JM, Dulick M, Klapstein D, White JB, Bernath PF. High resolution infrared emission spectra of GaH and GaD The Journal of Chemical Physics. 99: 8379-8384. DOI: 10.1063/1.465613 |
0.335 |
|
1993 |
Klapstein D, Nau WM. Conformational properties of carbonyl isocyanates—stereoelectronic effects favouring the cisoid conformation Journal of Molecular Structure. 299: 29-41. DOI: 10.1016/0022-2860(93)80281-Y |
0.583 |
|
1993 |
Balfour WJ, Fougère SG, Klapstein D, Nau WM. Vibrational spectra of acetyl isocyanate and mono-, di- and trichloroacetyl isocyanates Journal of Molecular Structure. 299: 21-28. DOI: 10.1016/0022-2860(93)80280-9 |
0.597 |
|
1992 |
Niessen Wv, Fougère SG, Janvier D, Klapstein D. The photoelectron spectrum of cyanoformyl fluoride Journal of Molecular Structure. 265: 133-142. DOI: 10.1016/0022-2860(92)80244-C |
0.437 |
|
1991 |
Balfour WJ, Fourgere SG, Klapstein D. The vibrational spectrum of cyanoformyl fluoride Spectrochimica Acta Part a: Molecular and Biomolecular Spectroscopy. 47: 1127-1130. DOI: 10.1016/0584-8539(91)80044-J |
0.42 |
|
1990 |
Klapstein D, MacPherson CD, O'Brien RT. The photoelectron spectra and electronic structure of 2-carbonyl furans Canadian Journal of Chemistry. 68: 747-754. DOI: 10.1139/V90-118 |
0.485 |
|
1989 |
Hamboyan L, Pink DA, Klapstein D, MacDonald L, Aboud H. Ultraviolet spectroscopic studies on the feathering of cream in instant coffee Journal of Dairy Research. 56: 741-748. DOI: 10.1017/S0022029900029319 |
0.338 |
|
1988 |
Klapstein D, O'Brien RT. The He(I) photoelectron spectra of 2-butynal and related oxyalkynes Canadian Journal of Chemistry. 66: 143-148. DOI: 10.1139/V88-022 |
0.407 |
|
1987 |
Klapstein D, O'Brien RT. The He(I) photoelectron spectra of the propenoyl halides Canadian Journal of Chemistry. 65: 683-686. DOI: 10.1139/V87-116 |
0.432 |
|
1987 |
Klapstein D. The He(I) photoelectron spectra of some conjugated carbonyl acetylene compounds, HCCC(O)X, X = H, F, Cl, OH, CH3 Journal of Electron Spectroscopy and Related Phenomena. 42: 149-160. DOI: 10.1016/0368-2048(87)85015-6 |
0.416 |
|
1986 |
Fulara J, Klapstein D, Kuhn R, Maier JP. Emission spectra of supersonically cooled haloacetylene cations: X-C.tplbond.C-H(D)+, X = Br, I The Journal of Physical Chemistry. 90: 2061-2067. DOI: 10.1021/J100401A018 |
0.553 |
|
1986 |
Klapstein D, Kuhn R, Maier JP, Ochsner M, Wyttenbach T. Spectroscopic characterization of organic cations: emission and laser-excitation spectra of rotationally cooled CH3CCX+, X Cl, Br Chemical Physics. 101: 133-146. DOI: 10.1016/0301-0104(86)87029-X |
0.654 |
|
1986 |
Fulara J, Klapstein D, Kuhn R, Maier JP. Emission Spectra of Supersonically Cooled Haloacetylene Cations: X - C ≡ C - H(D)+, X: Br, I. Cheminform. 17. DOI: 10.1002/Chin.198638041 |
0.553 |
|
1985 |
King MA, Klapstein D, Kuhn R, Maier JP, Kroto HW. Ã 2Σ+ → [Xtilde] 2Π i emission spectra of the thioborine cations HBS+ and DBS+ Molecular Physics. 56: 871-885. DOI: 10.1080/00268978500102771 |
0.628 |
|
1985 |
Fulara J, Klapstein D, Kuhn R, Maier JP. Emission spectra of supersonically cooled halocyanide cations, XCN+ (X = Cl, Br, I): ~A2.SIGMA.+ .fwdarw. ~B2.PI. and ~B2.PI. .fwdarw. ~X2.PI. band systems The Journal of Physical Chemistry. 89: 4213-4219. DOI: 10.1021/J100266A014 |
0.548 |
|
1985 |
Klapstein D, Kuhn R, Maier JP. Vibrational frequencies of isotopic species of X-CC-H+ and X-CC-X+, XCl, Br in the ≈ XΩ and ≈ AΩ Ω = , cationic states Journal of Electron Spectroscopy and Related Phenomena. 35: 171-177. DOI: 10.1016/0368-2048(85)80051-7 |
0.532 |
|
1984 |
Klapstein D, Leutwyler S, Maier JP, Cossart-Magos C, Cossart D, Leach S. The[Btilde]2A″2→[Xtilde]2E″ transition of 1,3,5-C6F3H3+and 1,3,5-C6F3D3+in discharge and supersonic free jet emission sources Molecular Physics. 51: 413-435. DOI: 10.1080/00268978400100281 |
0.61 |
|
1984 |
King MA, Klapstein D, Kroto HW, Kuhn R, Maier JP, Nixon JF. Ã 2Σ+ → X̃ 2Πi emission spectrum of the C‐fluorophosphaethyne cation FCP+ Journal of Chemical Physics. 80: 2332-2335. DOI: 10.1063/1.446984 |
0.598 |
|
1984 |
Klapstein D, Kuhn R, Maier JP, Ochsner M, Zambach W. Emission and laser excitation spectra of the ~A2.PI.u .tautm. ~X2.PI.g transition of rotationally cooled triacetylene cation The Journal of Physical Chemistry. 88: 5176-5180. DOI: 10.1021/J150666A012 |
0.537 |
|
1984 |
Klapstein D, Maier JP, Ochsner M, Zanbach W. Emission and laser-excitation spectra of the ≈A2Π ⇐ ≈X2Π transition of rotationally cooled bromochloroacetylene cation in the gas phase Journal of Electron Spectroscopy and Related Phenomena. 34: 161-162. DOI: 10.1016/0368-2048(84)80041-9 |
0.547 |
|
1984 |
Klapstein D, Kuhn R, Maier JP. Emission spectra of supersonically cooled chloroacetylene cations Chemical Physics. 86: 285-293. DOI: 10.1016/0301-0104(84)80016-6 |
0.645 |
|
1984 |
Klapstein D, Kuhn R, Maier JP, Misev L, Ochsner M. Spectroscopic Characterization of Open-Shell Cations: Emission and Laser Excitation spectra of Rotationally Cooled CH3(C?C)2X+, X = Cl, Br Helvetica Chimica Acta. 67: 1222-1232. DOI: 10.1002/Hlca.19840670508 |
0.653 |
|
1984 |
Klapstein D, Kuhn R, Maier JP, Misev L, Ochsner M. Spectroscopic Characterization Of Open‐Shell Cations: Emission And Laser Excitation Spectra Of Rotationally Cooled Me(Cc)2X+, X = Cl, Br Cheminform. 15. DOI: 10.1002/Chin.198444042 |
0.605 |
|
1983 |
Klapstein D, Maier JP, Misev L. Emission and laser excitation spectra of rotationally cooled cations:Ã 2Πu↔X̃ 2Πgband systems of X(C≡C)2 X+, X=Cl, Br The Journal of Chemical Physics. 78: 5393-5402. DOI: 10.1063/1.445466 |
0.684 |
|
1983 |
Klapstein D, Maier JP, Misev L, Thommen F, Zambach W. Emission and laser-excitation spectra of rotationally cooled methylcyanodiacetylene cation (A˜2EāX˜2 E) and photoelectron—photon Journal of Electron Spectroscopy and Related Phenomena. 31: 283-291. DOI: 10.1016/0368-2048(83)85076-2 |
0.608 |
|
1983 |
Leutwyler S, Klapstein D, Maier JP. Anomalous rotational distributions in electronic emission of supersonically cooled H2O+ (Ã 2A1 → X̃ 2B1) Chemical Physics. 74: 441-445. DOI: 10.1016/0301-0104(83)85194-5 |
0.567 |
|
1983 |
Klapstein D, Kuhn R, Leutwyler S, Maier JP. Emission spectra of supersonically cooled dimethyldiacetylene cations Chemical Physics. 78: 167-173. DOI: 10.1016/0301-0104(83)85105-2 |
0.606 |
|
1983 |
Klapstein D, Maier JP, Zambach W. Emission spectra of rotationally cooled dihaloacetylene cations in the gas phase: Ã2ΠΩ,g → X̃2ΠΩ,u band systems Chemical Physics. 77: 463-475. DOI: 10.1016/0301-0104(83)85100-3 |
0.663 |
|
1982 |
Klapstein D, Maier JP, Misev L, Thommen F, Zambach W. Emission and laser-induced excitation spectra of rotationally cooled perfluoro-2,4-hexadiyne cation (Ã2Eu↔X2Eg) and photoelectron–photon coincidence studies of the Ã2Eustate J. Chem. Soc., Faraday Trans. 2. 78: 1765-1772. DOI: 10.1039/F29827801765 |
0.627 |
|
1982 |
Klapstein D, Maier JP, Misev L, Zambach W. Emission and laser excitation spectra of rotationally cooled cations in the gas phase: Ã2Π ↔ X̃2Π band systems of 2X+, X Cl, Br Chemical Physics. 72: 101-110. DOI: 10.1016/0301-0104(82)87070-5 |
0.674 |
|
1982 |
King M, Klapstein D, Kroto H, Maier J, Nixon J. 2Σ+ → 2Πi emission spectra of the phosphaethyne cations HCP+ and DCP+ Journal of Molecular Structure. 80: 23-28. DOI: 10.1016/0022-2860(82)87203-7 |
0.665 |
|
1981 |
Klapstein D, Maier JP. Lifetimes of N2O+(Ã2Σ+) and COS+(Ã2Π) in selected vibronic levels Chemical Physics Letters. 83: 590-593. DOI: 10.1016/0009-2614(81)85529-7 |
0.522 |
|
1981 |
King M, Kroto H, Nixon J, Klapstein D, Maier J, Marthaler O. Ã2Σ+ → X̃+Π Emission spectra of the phosphaethyne cations, HCP+ and DCP+ Chemical Physics Letters. 82: 543-545. DOI: 10.1016/0009-2614(81)85437-1 |
0.64 |
|
1981 |
Klapstein D, Leutwyler S, Maier J. The emission spectrum of the 2,4-hexadiyne cation in a supersonic free jet Chemical Physics Letters. 84: 534-538. DOI: 10.1016/0009-2614(81)80402-2 |
0.496 |
|
1974 |
Foster T, Klapstein D, West PR. Restricted Rotation in α-Carbonyl Radicals Canadian Journal of Chemistry. 52: 524-526. DOI: 10.1139/V74-082 |
0.342 |
|
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