Martin Klessinger - Publications

Affiliations: 
1971-1999 Westfälische Wilhelms-Universität Münster, Münster, Nordrhein-Westfalen, Germany 

73 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
2003 Antol I, Eckert-Maksić M, Klessinger M. Ab initio study of excited state protonation of monosubstituted benzenes Journal of Molecular Structure: Theochem. 664: 309-317. DOI: 10.1016/J.Theochem.2003.10.004  1
2003 Schulte J, Lauterwein J, Klessinger M, Thiem J. Configurational assignment in alkyl-branched sugars via the geminal C,H coupling constants Magnetic Resonance in Chemistry. 41: 123-130. DOI: 10.1002/mrc.1141  1
2002 Klessinger M, Bornemann C. Theoretical study of the ring-opening reactions of 2H-azirines - A classification of substituent effects Journal of Physical Organic Chemistry. 15: 514-518. DOI: 10.1002/Poc.497  1
2001 Klessinger M. Introduction to the workshop on theoretical organic (photo)chemistry Journal of Photochemistry and Photobiology a: Chemistry. 144: 217-219.  1
2000 Haas Y, Klessinger M, Zilberg S. Chemical physics: Preface Chemical Physics. 259: 121-122. DOI: 10.1016/S0301-0104(00)00249-4  1
2000 Bornemann C, Klessinger M. Conical intersections and photoreactions of 2H-azirines Chemical Physics. 259: 263-271. DOI: 10.1016/S0301-0104(00)00207-X  0.36
2000 Izzo R, Klessinger M. Optimization of Conical Intersections Using the Semiempirical MNDOC-CI Method with Analytic Gradients Journal of Computational Chemistry. 21: 52-62. DOI: 10.1002/(Sici)1096-987X(20000115)21:1<52::Aid-Jcc6>3.0.Co;2-7  1
2000 Mählmann J, Klessinger M. Zero-Field Splitting Calculations Based on Semiempirical MR-CI Wave Functions International Journal of Quantum Chemistry. 77: 446-453.  1
1999 Steuhl HM, Bornemann C, Klessinger M. The mechanism of the photochemical hydrogen migration in 1,3,5-cycloheptatriene: A theoretical study Chemistry - a European Journal. 5: 2404-2412. DOI: 10.1002/(Sici)1521-3765(19990802)5:8<2404::Aid-Chem2404>3.0.Co;2-#  1
1999 Eckert-Maksić M, Antol I, Klessinger M, Maksić ZB. Proton affinity of substituted naphthalenes Journal of Physical Organic Chemistry. 12: 597-604. DOI: 10.1002/(Sici)1099-1395(199908)12:8<597::Aid-Poc163>3.0.Co;2-Q  1
1999 Bornemann C, Klessinger M. Excited-State Energy and Geometry Changes during the [1,7]H-Shift Reaction of Cycloheptatriene Organic Letters. 1: 1889-1891.  1
1998 Berger R, Fischer C, Klessinger M. Calculation of the vibronic fine structure in electronic spectra at higher temperatures. 1. Benzene and pyrazine Journal of Physical Chemistry A. 102: 7157-7167. DOI: 10.1021/Jp981597W  0.36
1998 Klessinger M. Triplet photoreactions; Structural dependence of spin-orbit coupling and intersystem crossing in organic biradicals Theoretical and Computational Chemistry. 5: 581-610. DOI: 10.1016/S1380-7323(98)80018-6  1
1998 Freund L, Klessinger M. Photochemical reaction pathways of ethylene International Journal of Quantum Chemistry. 70: 1009-1015. DOI: 10.1002/(Sici)1097-461X(1998)70:4/5<1023::Aid-Qua49>3.0.Co;2-3  1
1998 Wittekindt C, Klessinger M. Intramolecular photocycloaddition of nonconjugated dienes Journal of Information Recording. 24: 229-233.  0.36
1997 Klessinger M. Theoretical models for the selectivity of organic singlet and triplet photoreactions Pure and Applied Chemistry. 69: 773-778. DOI: 10.1351/Pac199769040773  1
1997 Eckert-Maksić M, Klessinger M, Antol I, Maksić ZB. Additivity of proton affinities in disubstituted naphthalenes Journal of Physical Organic Chemistry. 10: 415-419. DOI: 10.1002/(Sici)1099-1395(199706)10:6<415::Aid-Poc890>3.0.Co;2-7  1
1997 Berger R, Klessinger M. Algorithms for exact counting of energy levels of spectroscopic transitions at different temperatures Journal of Computational Chemistry. 18: 1312-1319. DOI: 10.1002/(Sici)1096-987X(19970730)18:10<1312::Aid-Jcc5>3.0.Co;2-Q  1
1996 Hillebrand C, Klessinger M, Eckert-Maksić M, Maksić ZB. Theoretical model calculations of the proton affinities of aminoalkanes, aniline, and pyridine Journal of Physical Chemistry. 100: 9698-9702. DOI: 10.1021/Jp960257C  0.36
1996 Böckmann M, Klessinger M, Zerner MC. Spin - orbit coupling in organic molecules: A semiempirical configuration interaction approach toward triplet state reactivity Journal of Physical Chemistry. 100: 10570-10579. DOI: 10.1021/Jp9532430  1
1996 Maksić ZB, Eckert-Maksić M, Klessinger M. Additivity of the proton affinity of polysubstituted benzenes: The ipso position Chemical Physics Letters. 260: 572-576. DOI: 10.1016/0009-2614(96)00900-1  1
1996 Eckert-Maksic M, Klessinger M, Maksic ZB. A theoretical study of the additivity of proton affinities in aromatics: Polysubstituted benzenes Angewandte Chemie - International Edition in English. 35: 1251-1257. DOI: 10.1002/Chem.19960021011  1
1996 Dreyer J, Klessinger M. The photochemical formation of fulvene from benzene via prefulvene - A theoretical study Chemistry - a European Journal. 2: 335-341. DOI: 10.1002/Chem.19960020315  1
1996 Böckmann M, Klessinger M. Model calculations on the stereoselectivity of the triplet photoreaction of 1,2-dimethyltrimethylene Angewandte Chemie (International Edition in English). 35: 2502-2504. DOI: 10.1002/Anie.199625021  0.36
1996 Eckert-Maksić M, Klessinger M, Kovaček D, Maksić ZB. Model calculations on the electrophilic reactivity of fused aromatics. influence of the OH substituent Journal of Physical Organic Chemistry. 9: 269-278. DOI: 10.1002/(Sici)1099-1395(199605)9:5<269::Aid-Poc809>3.0.Co;2-7  0.36
1996 Mattay J, Albrecht E, Fagnoni M, Heidbreder A, Hintz S, Kirschberg T, Klessinger M, Mählmann J, Schlachter I, Steenken S. Photoinduced cycloadditions and cyclizations. Mechanistic studies and synthetic applications Journal of Information Recording. 23: 23-29.  0.36
1995 Maksić ZB, Kovaček D, Eckert-Maksić M, Böckmann M, Klessinger M. Linear vs angular phenylenes: An interplay of aromaticity, antiaromaticity, and baeyer strain in fused molecular systems Journal of Physical Chemistry. 99: 6410-6416. DOI: 10.1021/J100017A020  0.36
1995 Eckert-Maksić M, Klessinger M, Maksić ZB. Theoretical calculations of proton affinities in phenol Chemical Physics Letters. 232: 472-478. DOI: 10.1016/0009-2614(94)01383-7  1
1995 Steuhl HM, Klessinger M. Excited-state carbon acids: Theoretical studies of suberene and cycloheptatriene Angewandte Chemie (International Edition in English). 33: 2431-2433. DOI: 10.1002/Anie.199424311  1
1994 Dreyer J, Klessinger M. Excited states and photochemical reactivity of fulvene. A theoretical study The Journal of Chemical Physics. 101: 10655-10665. DOI: 10.1063/1.467879  0.36
1994 Eckert-Maksić M, Maksić ZB, Klessinger M. Theoretical study of wheland intermediates in benzocycloalkenes: Vindication of the mills-nixon hypothesis Journal of the Chemical Society, Perkin Transactions 2. 285-289. DOI: 10.1039/P29940000285  0.36
1994 Bentzien J, Klessinger M. Theoretical investigations on the regio- and stereochemistry of the photochemical [2 + 2] cycloaddition of propene Journal of Organic Chemistry. 59: 4887-4894.  1
1992 Klessinger M. Structure of excited states and properties of organic dyes Journal of Molecular Structure. 266: 53-58. DOI: 10.1016/0022-2860(92)80049-N  1
1991 Prytulla S, Lauterwein J, Klessinger M, Thiem J. Configurational assignment of N-acetylneuraminic acid and analogues via the vicinal C,H coupling constants Carbohydrate Research. 215: 345-349. DOI: 10.1016/0008-6215(91)84033-B  1
1991 Klessinger M, Pötter T, v. Wüllen C. Semiempirical valence-electron calculations of excited state geometries and vibrational frequencies Theoretica Chimica Acta. 80: 1-17. DOI: 10.1007/BF01114748  1
1989 Klessinger M. Electronic structure and properties of molecules in excited states Journal of Molecular Structure: Theochem. 202: 129-134. DOI: 10.1016/0166-1280(89)87010-1  1
1988 Klessinger M, Bolte P. Hybridization and valence angle dependence of geminal NMR coupling constants Journal of Molecular Structure: Theochem. 169: 119-124. DOI: 10.1016/0166-1280(88)80254-9  1
1988 Reinsch M, Höweler U, Klessinger M. Semiempirical MNDOC-CI calculations on photochemical reactions: Criteria for selecting configurations Journal of Molecular Structure: Theochem. 167: 301-306. DOI: 10.1016/0166-1280(88)80233-1  1
1987 Kuhn HJ, Klessinger M, Ruščić B, Klasinc L. On the empirical correlation schemes for ionization energies in ring compounds Journal of Electron Spectroscopy and Related Phenomena. 43: 147-154. DOI: 10.1016/0368-2048(87)80027-0  1
1987 Schüürmann G, Klessinger M. Interpretation of the electronic spectra of substituted naphthalenes Chemical Physics. 113: 241-249. DOI: 10.1016/0301-0104(87)80152-0  1
1987 Lambert J, Klessinger M. Sensitivity-enhancement of SLAP measurements by application of bilinear π pulses Journal of Magnetic Resonance (1969). 73: 323-327. DOI: 10.1016/0022-2364(87)90204-6  1
1987 Schüle J, Klessinger M. Self-consistent group calculations on a simple model for the photochemical α cleavage reaction of carbonyl compounds Theoretica Chimica Acta. 72: 35-46. DOI: 10.1007/Bf00526552  1
1987 Reinsch M, Hoeweler U, Klessinger M. MNDOC CALCULATIONS OF THE POTENTIAL SURFACES FOR PHOTOCHEMICAL alpha -CLEAVAGE Angewandte Chemie - International Edition in English. 26: 238-240.  1
1986 Klessinger M, Höweler U. Substituent effects in free radical additions to alkenes Journal of Molecular Structure: Theochem. 138: 151-156. DOI: 10.1016/0166-1280(86)87018-X  1
1985 Lambert J, Wilhelm K, Klessinger M. Experimental aspects of the SLAP pulse sequence for sign determination of 13C-13C coupling constants Journal of Magnetic Resonance (1969). 63: 189-192. DOI: 10.1016/0022-2364(85)90167-2  1
1985 Höweler U, Klessinger M. A model for free-radical reactions Theoretica Chimica Acta. 67: 485-490. DOI: 10.1007/Bf00528143  1
1983 Höweler U, Klessinger M. Ab initio and model hypersurfaces for ground and excited state radical reactions Theoretica Chimica Acta. 63: 401-419. DOI: 10.1007/PL00020399  1
1982 Klessinger M. The origin of the colour of indigo dyes Dyes and Pigments. 3: 235-241. DOI: 10.1016/0143-7208(82)80025-9  1
1982 Klessinger M, Zywietz A. Methoxy group rotation in methoxyethene and methoxybenzene Journal of Molecular Structure. 90: 341-350. DOI: 10.1016/0022-2860(82)90234-4  1
1980 Hemmersbach P, Klessinger M. Der einfluss von wechselwirkungen durch den raum und uber bindungen auf die walsh-orbitale von spirocyclopropylverbindungen1 Tetrahedron. 36: 1337-1343.  1
1979 Klessinger M, Rademacher P. CONFORMATIONAL ANALYSIS BY PHOTOELECTRON SPECTROSCOPY Angewandte Chemie - International Edition in English. 18: 826-837. DOI: 10.1002/Chin.198007369  1
1978 Klessinger M, Gunkel E. The electronic structure of polyenes and unsaturated carbonyl compounds Tetrahedron. 34: 3591-3598. DOI: 10.1016/0040-4020(78)88436-1  1
1978 Klessinger M, Schmidt W. VB calculations with orthogonal basis functions - I. Minimal basis ab initio calculations Theoretica Chimica Acta. 47: 193-203. DOI: 10.1007/BF00577161  1
1978 Klessinger M. Molecular orbital calculations based on linear combinations of fragment orbitals - I. Basic theory and interpretation of PE spectra of π systems Theoretica Chimica Acta. 49: 77-92. DOI: 10.1007/BF00552740  1
1978 Hemmersbach P, Klessinger M, Bruckmann P. Electronic structure of exo-dimethylenecycloalkanes Journal of the American Chemical Society. 100: 6344-6347.  1
1975 Asmus P, Klessinger M, Meyer LU, de Meijere A. Conjugative interaction between cyclopropyl walsh orbitals and π-orbitals in dispiro[2.2.2.2]deca-4,9-diene Tetrahedron Letters. 16: 381-384. DOI: 10.1016/S0040-4039(00)71872-7  1
1975 Klessinger M, Asmus P, Kraatz U. Photoelektronenspektren organischer verbindungen-VII. Hydrochinonmethyl-alkyläther Tetrahedron. 31: 517-521. DOI: 10.1016/0040-4020(75)85022-8  1
1974 Asmus P, Klessinger M. Photoelectron spectra of organic compounds-VI. Exocyclic methylene compounds Tetrahedron. 30: 2477-2483. DOI: 10.1016/S0040-4020(01)97119-4  1
1974 Hentrich G, Gunkel E, Klessinger M. Photoelektronenspektren organischer verbindungen. 4. Mitt.1 1 3. Mitt. siehe Lit. 1. photoelektronenspektren ungesättigter carbonylverbindungen Journal of Molecular Structure. 21: 231-244. DOI: 10.1016/0022-2860(74)80048-7  1
1973 Bruckmann P, Klessinger M. Photoelektronenspektren organischer verbindungen. III. Photoelektronenspektren acetylensubstituierter kleiner ringe Journal of Electron Spectroscopy and Related Phenomena. 2: 341-354. DOI: 10.1016/0368-2048(73)80026-X  1
1970 Klessinger M. Self-consistent group calculations on polyatomic molecules. IV. Substituted methanes The Journal of Chemical Physics. 53: 225-232.  1
1969 Klessinger M. Bond angle deformation and hybridization in H2O Chemical Physics Letters. 4: 144-146. DOI: 10.1016/0009-2614(69)80080-1  1
1969 Klessinger M. Gaussian expansions of minimal STO basis for calculations in molecular quantum mechanics Theoretica Chimica Acta. 15: 353-364. DOI: 10.1007/BF00529848  1
1968 Klessinger M. Chamical bond in hydrogen fluoride Chemical Physics Letters. 2: 562-564. DOI: 10.1016/0009-2614(63)80015-9  1
1968 Klessinger M. Nichtnachbar-Matrixelemente in der HMO-Methode Theoretica Chimica Acta. 9: 339-343. DOI: 10.1007/BF00529929  1
1968 Klessinger M. Minimum basis self-consistent group function calculations Symposia of the Faraday Society. 2: 73-83.  0.36
1967 Klessinger M. Triple bond in N2 and CO The Journal of Chemical Physics. 46: 3261-3262.  1
1966 Klessinger M. Pariser-Parr-Pople-Rechnungen an Molekülen mit Aminogruppen - II. Cyanine, Merocyanine und Quadrupol-merocyanine Theoretica Chimica Acta. 5: 251-265. DOI: 10.1007/BF00526938  1
1966 Klessinger M. Pariser-Parr-Pople-Rechnungen an Molekülen mit Aminogruppen - I. Die Parameter der Aminogruppen Theoretica Chimica Acta. 5: 236-250. DOI: 10.1007/BF00526937  1
1966 Klessinger M. Theoretische und spektroskopische untersuchungen an indigofarb-stoffen-V. PPP-rechnungen am indigochromophor Tetrahedron. 22: 3355-3365.  1
1965 Klessinger M, McWeeny R. Self-consistent group calculations on polyatomic molecules. I. Basic theory with an application to methane The Journal of Chemical Physics. 42: 3343-3354.  1
1964 Lüttke W, Klessinger M. Theoretische und spektroskopische Untersuchungen an Indigofarbstoffen, I. Infrarot‐ und Lichtabsorptionsspektren einfacher Indigofarbstoffe Chemische Berichte. 97: 2342-2357. DOI: 10.1002/Cber.19640970833  1
1963 Klessinger M, Lüttke W. Theoretische und spektroskopische untersuchungen an indigo-farbstoffen - II. Das chromophore system der Indigo-Farbstoffe Tetrahedron. 19: 315-335. DOI: 10.1016/S0040-4020(63)80023-X  1
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