A NOTE ON THE AB INITIO CALCULATION OF INTERMOLECULAR POTENTIALS: THE HF DIMERLISCHKA H.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 66; NO 1; PP. 108-110; BIBL. 20 REF.Article

AB INITIO CALCULATIONS ON INTRAMOLECULAR FORCES. III. EFFECT OF ELECTRON CORRELATION ON THE HYDROGEN BOND IN THE HF DIMER.LISCHKA H.1974; J. AMER. CHEM. SOC.; U.S.A.; DA. 1974; VOL. 96; NO 15; PP. 4761-4766; BIBL. 37 REF.Article

A SYSTEMATIC INVESTIGATION ON THE STRUCTURE AND STABILITY OF THE LOWEST SINGLET AND TRIPLET STATES OF SI₂H₄ AND SIH₃SIH AND THE ANALOGOUS CARBON COMPOUNDS SIH₂CH₂, SIH₃CH, CH₃SIH, C₂H₄, AND CH₃CHKOHLER HJ; LISCHKA H.1982; JOURNAL OF THE AMERICAN CHEMICAL SOCIETY; ISSN 0002-7863; USA; DA. 1982; VOL. 104; NO 22; PP. 5884-5889; BIBL. 42 REF.Article

COUPLED-HARTREE-FOCK CALCULATIONS OF SUSCEPTIBILITIES AND MAGNETIC SHIELDING CONSTANTS. I: THE FIRST ROW HYDRIDES LIH, BEH₂, BH₃, CH₄, NH₃, H₂O AND HF, AND THE HYDROCARBONS C₂H₂, C₂H₄ AND C₂H₆HOELLER R; LISCHKA H.1980; MOL. PHYS.; ISSN 0026-8976; GBR; DA. 1980; VOL. 41; NO 5; PP. 1017-1040; BIBL. 51 REF.Article

A THEORETICAL INVESTIGATION ON THE MODEL WITTIG REACTION PH₃CH₂+CH₂O->PH₃O+C₂H₄HOELLER R; LISCHKA H.1980; J. AMER. CHEM. SOC.; USA; DA. 1980; VOL. 102; NO 14; PP. 4632-4635; BIBL. 17 REF.Article

A THEORETICAL INVESTIGATION ON THE SYSTEMS C₂H₅O⁺ AND C₂H₅S⁺LISCHKA H; KOEHLER HJ.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 63; NO 2; PP. 326-331; BIBL. 32 REF.Article

COUPLED-HARTREE-FOCK CALCULATIONS OF SUSCEPTIBILITIES AND MAGNETIC SHIELDING CONSTANTS. II: THE SECOND ROW HYDRIDES NAH, MGH₂, ALH₃, SIH₄, PH₃, H₂S AND HCLHOELLER R; LISCHKA H.1980; MOL. PHYS.; ISSN 0026-8976; GBR; DA. 1980; VOL. 41; NO 5; PP. 1041-1050; BIBL. 11 REF.Article

THEORETICAL INVESTIGATIONS ON CARBOCATIONS. STRUCTURE AND STABILITY OF C₃H₅⁺, C₄H₉⁺ (2-BUTYL CATION), C₅H₅⁺, C₆H₇⁺ (PROTONATED BENZENE), AND C₇H₁₁⁺ (2-NORBONYL CATION)KOEHLER HJ; LISCHKA H.1979; J. AMER. CHEM. SOC.; USA; DA. 1979; VOL. 101; NO 13; PP. 3479-3487; BIBL. 47 REF.Article

ON THE STRUCTURE AND STABILITY OF SINGLET AND TRIPLET DISILENE AND SILYLSILYLENELISCHKA H; KOEHLER HJ.1982; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1982; VOL. 85; NO 4; PP. 467-471; BIBL. 17 REF.Article

A COUPLED HARTREE-FOCK STUDY ON NUCLEAR MAGNETIC SHIELDING IN (HF)₂ AND (H₂O)₂HOLLER R; LISCHKA H.1981; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1981; VOL. 84; NO 1; PP. 94-98; BIBL. 15 REF.Article

STRUCTURE AND STABILITY OF THE CARBOCATIONS C₂H₃⁺ AND C₂H₄X⁺, X=H, F, C1 AND CH₃. AB INITIO INVESTIGATION INCLUDING ELECTRON CORRELATION AND A COMPARISON WITH MINDO/3 RESULTS.LISCHKA H; KOHLER HJ.1978; J. AMER. CHEM. SOC.; USA; DA. 1978; VOL. 100; NO 17; PP. 5297-5305; BIBL. 78 REF.Article

AB INITIO STUDIES OF CHEMICAL EQUILIBRIA. III. SCF AND CEPA CALCULATIONS OF THE EQUILIBRIUM CONSTANTS OF THE REACTIONS C₂H₂+OH^-<->C₂H^-+H₂O AND LI+H₂O<->LIOH+H.LISCHKA H; CARSKY P; ZAHRADNIK R et al.1977; CHEM. PHYS.; NETHERL.; DA. 1977; VOL. 25; NO 1; PP. 19-27; BIBL. 31 REF.Article

VARIATIONAL SOLUTION OF THE DIRAC EQUATION WITHIN A MULTICENTRE BASIS SET OF GAUSSIAN FUNCTIONSMARK F; LISCHKA H; ROSICKY F et al.1980; CHEM. PHYS. LETTERS; NLD; DA. 1980; VOL. 71; NO 3; PP. 507-512; BIBL. 14 REF.Article

Ab initio calculations on the excited states of π-systems. I: Valence excitations in acetyleneLISCHKA, H; KARPFEN, A.Chemical physics. 1986, Vol 102, Num 1-2, pp 77-89, issn 0301-0104Article

Structure and harmonic vibrational frequencies of cyclopentadiene in the lowest singlet statesKOVAR, T; LISCHKA, H.Journal of molecular structure. Theochem. 1994, Vol 303, pp 71-82, issn 0166-1280Article

The structure of protonated disileneKÖHLER, H.-J; LISCHKA, H.Chemical physics letters. 1983, Vol 98, Num 5, pp 454-456, issn 0009-2614Article

PNO-CI (PAIR NATURAL ORBITAL CONFIGURATION INTERACTION) AND CEPA-PNO (COUPLED ELECTRON PAIR APPROXIMATION WITH PAIR NATURAL ORBITALS) CALCULATIONS OF MOLECULAR SYSTEMS. I. OUTLINE OF THE METHOD FOR CLOSED-SHELL STATES.AHLRICHS R; LISCHKA H; STAEMMLER V et al.1975; J. CHEM. PHYS.; U.S.A.; DA. 1975; VOL. 62; NO 4; PP. 1225-1234; BIBL. 47 REF.Article

PNO-CI (PAIR-NATURAL-ORBITAL CONFIGURATION INTERACTION) AND CEPA-PNO (COUPLED ELECTRON PAIR APPROXIMATION WITH PAIR NATURAL ORBITALS) CALCULATIONS OF MOLECULAR SYSTEMS. IV. THE MOLECULES N₂, F₂, C₂H₂, C₂H₄, AND C₂H₆.AHLRICHS R; LISCHKA H; ZURAWSKI B et al.1975; J. CHEM. PHYS.; U.S.A.; DA. 1975; VOL. 63; NO 11; PP. 4685-4694; BIBL. 44 REF.Article

Ab initio investigation on the lowest singlet and triplet state of Si₂H₂LISCHKA, H; KOHLER, H. J.Journal of the American Chemical Society. 1983, Vol 105, Num 22, pp 6646-6649, issn 0002-7863Article

AB INITIO LCMO STUDIES ON THE HYDRATION OF FORMATE IONLUKOVITS I; KARPFEN A; LISCHKA H et al.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 63; NO 1; PP. 151-154; BIBL. 11 REF.Article

AB INITIO CALCULATION OF THE EQUILIBRIUM GEOMETRY AND THE ¹³C, ¹⁷O AND ²⁷AL NMR CHEMICAL SHIELDING TENSORS OF THE SYSTEM AL³⁺/COWELLER T; MEILER W; MICHAEL A et al.1982; CHEMICAL PHYSICS; ISSN 0301-0104; NLD; DA. 1982; VOL. 72; NO 1-2; PP. 155-159; BIBL. 16 REF.Article

SCF and electron correlation studies on structures and harmonic in-plane force fields of ethylene, trans 1,3-butadiene, and all-trans 1,3,5-hexatrieneSZALAY, P. G; KARPFEN, A; LISCHKA, H et al.The Journal of chemical physics. 1987, Vol 87, Num 6, pp 3530-3538, issn 0021-9606Article

Ab initio density functional theory applied to the structure and proton dynamics of claysBENCO, L; TUNEGA, D; HAFNER, J et al.Chemical physics letters. 2001, Vol 333, Num 6, pp 479-484, issn 0009-2614Article

Linear versus cyclic (HCN)₃ : an ab initio study on structure, vibrational spectra, and infrared intensitiesKURNIG, I. J; LISCHKA, H; KARPFEN, A et al.The Journal of chemical physics. 1990, Vol 92, Num 4, pp 2469-2477, issn 0021-9606Article

Geometry relaxation effects in the 1 ¹B_u and 2 ¹A_g states of trans-1,3-butadieneSZALAY, P. G; KARPFEN, A; LISCHKA, H et al.Chemical physics. 1989, Vol 130, Num 1-2-3, pp 219-228, issn 0301-0104, 10 p.Article