M. Klessinger

发表

Self‐Consistent Group Calculations on Polyatomic Molecules. I. Basic Theory with an Application to Methane

R. Mcweeny, M. Klessinger, R. McWeeny, 1965 .

Calculation of the Vibronic Fine Structure in Electronic Spectra at Higher Temperatures. 1. Benzene and Pyrazine

M. Klessinger, R. Berger, C. Fischer, 1998 .

Configurational assignment in N‐acetylneuraminic acid and analogues via the geminal C,H coupling constants

M. Klessinger, J. Lambert, J. Lauterwein, 1990 .

Molecular orbital calculations based on linear combinations of fragment orbitals

M. Klessinger, 1978 .

Magnitude and sign of C,C coupling constants in acetylenes and allenes

M. Klessinger, J. Lambert, 1987 .

The structural dependence of two-bond 13C13C coupling constants

M. Klessinger, M. Stöcker, 1981 .

Triple Bond in N2 and CO

M. Klessinger, 1967 .

ADDITIVITY OF PROTON AFFINITIES IN DISUBSTITUTED NAPHTHALENES

Z. Maksić, M. Eckert-Maksić, M. Klessinger, 1997 .

Konformationsanalyse durch Photoelektronen‐Spektroskopie

M. Klessinger, P. Rademacher, 1979 .

Conformational analysis by photoelectron spectroscopy

M. Klessinger, P. Rademacher, 1979 .

Configurational assignment in alkyl‐branched sugars via the geminal C,H coupling constants

M. Klessinger, J. Lauterwein, J. Thiem, 2003 .

The origin of the colour of indigo dyes

M. Klessinger, 1982 .

Ab initio and model hypersurfaces for ground and excited state radical reactions

M. Klessinger, U. Höweler, 1983 .

Protonation of fused aromatic systems: Ab initio study of some model Wheland intermediates

Z. Maksić, M. Eckert-Maksić, M. Klessinger, 1994 .

Optimization of conical intersections using the semiempirical MNDOC–CI method with analytic gradients

M. Klessinger, Robert T. Izzo, 2000 .

Ab initio and model hypersurfaces for ground and excited state radical reactions

M. Klessinger, U. Höweler, 1983, Theoretica chimica acta.

Theoretical calculations of proton affinities in phenol

Z. Maksić, M. Eckert-Maksić, M. Klessinger, 1995 .

Gaussian expansions of minimal STO basis for calculations in molecular quantum mechanics

M. Klessinger, 1969 .

Theoretically and Experimentally Determined Properties of the Fundamental Indigo Chromophore

M. Klessinger, W. Lüttke, H. Hermann, 1966 .

Optimization of conical intersections using the semiempirical MNDOC-CI method with analytic gradients

M. Klessinger, Robert T. Izzo, 2000, J. Comput. Chem..

VB calculations with orthogonal basis functions

M. Klessinger, W. Schmidt, 1978 .

MNDOC-CI calculations for organic photoreactions. I. The α-cleavage reaction of carbonyl compounds

M. Klessinger, M. Reinsch, 1990 .

Self‐Consistent Group Calculations on Polyatomic Molecules. II. Hybridization and Optimum Orbitals in Water

M. Klessinger, 1965 .

A THEORETICAL STUDY OF THE ADDITIVITY OF PROTON AFFINITIES IN AROMATICS : POLYSUBSTITUTED BENZENES

M. Klessinger, Mirjana Eckert‐Maksik, Zvonimir B. Maksii, 1996 .

Spectrometric Identification of Organic Compounds. Von R. M. Silverstein und G. C. Bassler. John Wiley and Sons, New York‐London‐Sydney 1967. 2. Aufl., IX, 256 S., zahlr. Abb., geb. 75 s

M. Klessinger, 1968 .

13C spectra of some vicinal dimethylene derivatives of cyclic hydrocarbons

M. Klessinger, H. Pfeffer, 1977 .

Photoelectron Spectra of Unsaturated Systems Containing Cyclopropane and Cyclobutane Rings

M. Klessinger, P. Bruckmann, 1972 .

Structure of excited states and properties of organic dyes

M. Klessinger, 1992 .

Properties of Molecules in Excited States

M. Klessinger, T. Pötter, 1991 .

Ab initio study of excited state protonation of monosubstituted benzenes

M. Eckert-Maksić, M. Klessinger, I. Antol, 2003 .

Captodative Substituent Effects and the Chromophoric System of Indigo

M. Klessinger, 1980 .

MODEL CALCULATIONS ON THE ELECTROPHILIC REACTIVITY OF FUSED AROMATICS. INFLUENCE OF THE OH SUBSTITUENT

Z. Maksić, M. Eckert-Maksić, M. Klessinger, 1996 .

Photoelectron spectra of organic compounds—VI

P. Asmus, M. Klessinger, 1974 .

The photochemical Formation of Fulvene from Benzene via Prefulvene–a Theoretical Study

M. Klessinger, J. Dreyer, 1996 .

Excited states of cyclic-conjugated anions: a theoretical study of the photodecarboxylation of cycloheptatriene and cyclopentadiene carboxylate anions

M. Klessinger, H. Steuhl, 1998 .

Polarity of Covalent Bonds

M. Klessinger, 1970 .

Excited states and photochemistry of organic molecules

Martin Klessinger, Josef Michl, J. Michl, 1995 .

13C,13C coupling constants of conjugated dienes

M. Klessinger, M. Stöcker, K. Wilhelm, 1981 .

CC coupling constants of unsaturated hydrocarbons

M. Klessinger, K. Wilhelm, Reinhard Hübers, 1986 .

13C13C coupling constants of cyclobutane derivatives

M. Klessinger, M. Stöcker, 1979 .

Ionisationspotentiale substituierter Benzole

M. Klessinger, 1972 .

Ionization Potentials of Substituted Benzenes

M. Klessinger, 1972 .

Conjugative interaction between cyclopropyl walsh orbitals and π-orbitals in dispiro[2.2.2.2]deca-4,9-diene

P. Asmus, M. Klessinger, A. Meijere, 1975 .

The structural dependence of vicinal 13C13C coupling constants in s‐cis‐butane and cis‐butane

M. Klessinger, Jung‐hyuck Cho, 1983 .

Additivity of the proton affinity of polysubstituted benzenes: the ipso position

Z. Maksić, M. Eckert-Maksić, M. Klessinger, 1996 .

THEORETICAL MODEL CALCULATIONS OF THE PROTON AFFINITIES OF AMINOALKANES, ANILINE, AND PYRIDINE

Z. Maksić, M. Eckert-Maksić, M. Klessinger, 1996 .

Proton affinity of substituted naphthalenes

Z. Maksić, M. Eckert-Maksić, M. Klessinger, 1999 .

Configurational assignment of N-acetylneuraminic acid and analogues via the vicinal C,H coupling constants

M. Klessinger, J. Lauterwein, J. Thiem, 1991 .

Theoretical models for the selectivity of organic singlet and triplet photoreactions

M. Klessinger, 1997 .

Conical Intersections and the Mechanism of Singlet Photoreactions

M. Klessinger, 1995 .

Interpretation of the electronic spectra of substituted naphthalenes

G. Schüürmann, M. Klessinger, 1987 .

The electronic structure of polyenes and unsaturated carbonyl compounds

M. Klessinger, E. Gunkel, 1978 .

The structural dependence of geminal and vicinal CC coupling constants

M. Klessinger, Jung‐hyuck Cho, K. Wilhelm, 1985 .

Additivity of Proton affinities: Theoretical studies of fluorine- and methyl-substituted benzenes

Z. Maksić, M. Eckert-Maksić, M. Klessinger, 1995 .

Semiempirical valence-electron calculations of excited state geometries and vibrational frequencies

M. Klessinger, C. Wüllen, T. Pötter, 1991 .

Self-consistent group calculations on a simple model for the photochemical α cleavage reaction of carbonyl compounds

M. Klessinger, J. Schüle, 1987 .

Zero‐field splitting calculations based on semiempirical MR‐CI wave functions

M. Klessinger, Jrgen Mhlmann, 2000 .

Electronic structure and properties of molecules in excited states

M. Klessinger, 1989 .

Semiempirical MNDOC—CI calculations on photochemical reactions: Criteria for selecting configurations

M. Klessinger, U. Höweler, M. Reinsch, 1988 .

W. Th. Borden (Ed.): Diradicals, John Wiley & Sons Ltd., New York, Brisbane, Chichester, Toronto, Singapore 1982. 343 Seiten, Preis: £ 37.25

M. Klessinger, 1983 .

Excited states and photochemical reactivity of fulvene. A theoretical study

M. Klessinger, J. Dreyer, 1994 .

Self-consistent group calculations on polyatomic molecules V. Molecules with a double or triple bond

M. Klessinger, 1970 .

Triplet photoreactions; Structural dependence of spin-orbit coupling and intersystem crossing in organic biradicals

M. Klessinger, 1998 .

Theoretical study of Wheland intermediates in benzocycloalkenes: vindication of the Mills–Nixon hypothesis

Z. Maksić, M. Eckert-Maksić, M. Klessinger, 1994 .

PHOTOCHEMICAL REACTION PATHWAYS OF ETHYLENE

M. Klessinger, L. Freund, 1998 .

Substituent effects in free radical additions to alkenes

M. Klessinger, U. Höweler, 1986 .

Introduction to the workshop on theoretical organic (photo)chemistry

M. Klessinger, 2001 .

Th. A. Albright, J. K. Burdett und M. ‐H. Whangbo: Orbital Interactions in Chemistry, J. Wiley u. Sons, New York, Chichester, Brisbane, Toronto, Singapore 1985. 447 Seiten, Preis: £ 63.25

M. Klessinger, 1985 .

Photoelectron spectra of organic compounds. 12. Electronic structure of exo-dimethylenecycloalkanes

P. Hemmersbach, M. Klessinger, P. Bruckmann, 1978 .

Experimental aspects of the SLAP pulse sequence for sign determination of 13C-13C coupling constants

M. Klessinger, J. Lambert, K. Wilhelm, 1985 .

LINEAR VS ANGULAR PHENYLENES : AN INTERPLAY OF AROMATICITY, ANTIAROMATICITY, AND BAEYER STRAIN IN FUSED MOLECULAR SYSTEMS

Z. Maksić, M. Eckert-Maksić, M. Klessinger, 1995 .

Spin−Orbit Coupling in Organic Molecules: A Semiempirical Configuration Interaction Approach toward Triplet State Reactivity

M. Zerner, M. Klessinger, Marcus Böckmann and, 1996 .

Algorithms for exact counting of energy levels of spectroscopic transitions at different temperatures

M. Klessinger, R. Berger, 1997, J. Comput. Chem..

CONJUGATIVE INTERACTIONS OF CYCLOBUTANE

M. Klessinger, P. Bruckmann, 1978 .

The relative stability of the tautomers of α‐Hydroxytetronic acid

Z. Maksić, M. Eckert-Maksić, M. Klessinger, 1994 .

Geometry optimization in semiempirical SCF‐MO‐CI calculations

M. Klessinger, T. Pötter, 1991 .

Self‐Consistent Group Calculations on Polyatomic Molecules. IV. Substituted Methanes

M. Klessinger, 1970 .

Bond angle deformation and hybridization in H2O

M. Klessinger, 1969 .