AAAAAA
Results: 1-25/32
Authors:
BADAWI HM
FORNER W
ALRAYYES AA
Citation: Hm. Badawi et al., AN INVESTIGATION OF STRUCTURAL STABILITY AND INTERNAL-ROTATION IN 3-CYCLOPROPENECARBOXALDEHYDE AND 3-CYCLOPROPENECARBOXYLIC ACID FLUORIDE BY AB-INITIO CALCULATIONS, JOURNAL OF MOLECULAR MODELING, 4(5), 1998, pp. 158-164
Authors:
FORNER W
UTZ W
Citation: W. Forner et W. Utz, NONLINEAR CHARGE-CARRIERS IN POLYACETYLENE, JOURNAL OF MOLECULAR MODELING, 4(1), 1998, pp. 12-32
Authors:
FORNER W
Citation: W. Forner, MULTIQUANTUM STATES DERIVED FROM DAVYDOVS VERTICAL-BAR-D-1] ANSATZ - II - AN EXACT SPECIAL CASE SOLUTION FOR THE SU-SCHRIEFFER-HEEGER HAMILTONIAN AND ITS RELATION TO THE VERTICAL-BAR-PHI(2)] STATE, Journal of physics. Condensed matter, 10(12), 1998, pp. 2631-2662
Authors:
FORNER W
BADAWI HM
Citation: W. Forner et Hm. Badawi, NORMAL-COORDINATE ANALYSES, VIBRATIONAL ASSIGNMENTS AND BARRIER TO INTERNAL-ROTATION IN ISOCYANATOACETALDEHYDE BASED ON AB-INITIO CALCULATIONS, Journal of molecular structure. Theochem, 454(1), 1998, pp. 41-50
Authors:
BADAWI HM
FORNER W
Citation: Hm. Badawi et W. Forner, VIBRATIONAL FREQUENCIES, NORMAL-COORDINATE ANALYSES AND POTENTIAL FUNCTIONS FOR INTERNAL ROTATIONS IN 3,3,3-TRIFLUOROPROPIONYL FLUORIDE AND3,3,3-TRICHLOROPROPIONYL CHLORIDE BASED ON AB-INITIO CALCULATIONS, Journal of molecular structure. Theochem, 452, 1998, pp. 85-96
Authors:
FORNER W
BOGAR F
KNAB R
Citation: W. Forner et al., ENERGY-BANDS AND BOND ALTERNATION POTENTIAL IN POLY(PARA-PHENYLENE VINYLENE) - A COMPARATIVE AB-INITIO QUANTUM-CHEMICAL AND DENSITY-FUNCTIONAL THEORY STUDY, Journal of molecular structure. Theochem, 430, 1998, pp. 73-84
Authors:
UTZ W
FORNER W
Citation: W. Utz et W. Forner, POLARONS AND BIPOLARONS IN CIS-POLYACETYLENE, Physical review. B, Condensed matter, 57(17), 1998, pp. 10512-10525
Authors:
FORNER W
Citation: W. Forner, DAVYDOV SOLITON DYNAMICS IN PROTEINS .3. APPLICATIONS AND CALCULATIONOF VIBRATIONAL-SPECTRA, JOURNAL OF MOLECULAR MODELING, 3(2), 1997, pp. 78-116
Authors:
KNAB R
FORNER W
LADIK J
Citation: R. Knab et al., NUMERICAL APPLICATION OF THE COUPLED-CLUSTER THEORY WITH LOCALIZED ORBITALS TO POLYMERS .3. BOND ALTERNATION IN TRANSPOLYACETYLENE, Journal of physics. Condensed matter, 9(9), 1997, pp. 2043-2063
Authors:
FORNER W
Citation: W. Forner, NONLINEAR CHARGE-CARRIERS IN ORGANIC CONJUGATED POLYMERS, Indian journal of chemistry. Sect. A: Inorganic, physical, theoretical & analytical, 36(5), 1997, pp. 355-392
Authors:
FORNER W
Citation: W. Forner, COMPARATIVE APPLICATION OF DIFFERENT APPROACHES FOR BAND-STRUCTURE CALCULATIONS ON POLYPARAPHENYLENE IN THE PARISER-PARR-POPLE MODEL .1. THE MEAN-FIELD (HARTREE-FOCK) APPROXIMATION AND LOCALIZED WANNIERFUNCTIONS, Physica scripta. T, 56(5), 1997, pp. 490-505
Authors:
FORNER W
Citation: W. Forner, COMPARATIVE APPLICATION OF DIFFERENT APPROACHES FOR BAND-STRUCTURE CALCULATIONS ON POLYPARAPHENYLENE IN THE PARISER-PARR-POPLE MODEL .2. MOLLER-PLESSET AND COUPLED-CLUSTER METHODS, Physica scripta. T, 56(5), 1997, pp. 506-526
Authors:
BOGAR F
FORNER W
KAPUY E
LADIK J
Citation: F. Bogar et al., CORRELATION-CORRECTED ENERGY-BANDS OF POLYMERS WITH LARGE UNIT-CELL -POLY(PARA-PHENYLENE) AND POLY(PERI-NAPHTHALENE), Journal of molecular structure. Theochem, 391(3), 1997, pp. 193-199
Authors:
FORNER W
KNAB R
CIZEK J
LADIK J
Citation: W. Forner et al., NUMERICAL APPLICATION OF THE COUPLED-CLUSTER THEORY WITH LOCALIZED ORBITALS TO POLYMERS .4. BAND-STRUCTURE CORRECTIONS IN MODEL SYSTEMS ANDPOLYACETYLENE, The Journal of chemical physics, 106(24), 1997, pp. 10248-10264
Authors:
FORNER W
Citation: W. Forner, DAVYDOV SOLITONS IN PROTEINS, International journal of quantum chemistry, 64(3), 1997, pp. 351-377
Authors:
FORNER W
Citation: W. Forner, DAVYDOV SOLITON DYNAMICS IN PROTEINS .1. INITIAL STATES AND EXACTLY SOLVABLE SPECIAL CASES, JOURNAL OF MOLECULAR MODELING, 2(5), 1996, pp. 70-102
Authors:
FORNER W
Citation: W. Forner, DAVYDOV SOLITON DYNAMICS IN PROTEINS .2. THE GENERAL-CASE, JOURNAL OF MOLECULAR MODELING, 2(5), 1996, pp. 103-135
Authors:
LADIK J
FORNER W
Citation: J. Ladik et W. Forner, ON THE ROLE OF CONFORMATIONAL SOLITARY WAVES IN THE BASE STACKS OF DNA, Physiological chemistry and physics and medical NMR, 28(4), 1996, pp. 279-281
Authors:
KNAB R
FORNER W
CIZEK J
LADIK J
Citation: R. Knab et al., NUMERICAL APPLICATION OF THE COUPLED-CLUSTER THEORY WITH LOCALIZED ORBITALS TO POLYMERS .2. OPTIMAL LOCALIZATION OF WANNIER FUNCTIONS AND THE CORRELATION-ENERGY IN DIFFERENT APPROXIMATIONS, Journal of molecular structure. Theochem, 366(1-2), 1996, pp. 11-33
Authors:
FORNER W
Citation: W. Forner, DERIVATIVES OF EIGENVALUES FROM AB-INITIO HARTREE-FOCK CRYSTAL ORBITAL CALCULATIONS WITH RESPECT TO THE QUASI-MOMENTUM AND THE ITERATIVE SOLUTION OF THE INVERSE DYSON EQUATION IN THE CORRELATION-PROBLEM, Journal of molecular structure. Theochem, 362(1), 1996, pp. 101-132
Authors:
FORNER W
Citation: W. Forner, ACCURACY OF DAVYDOV VERTICAL-BAR-D-1] APPROXIMATION FOR SOLITON DYNAMICS IN PROTEINS, Physical review. B, Condensed matter, 53(10), 1996, pp. 6291-6317
Authors:
FORNER W
Citation: W. Forner, THE PROPERTIES OF THE ITERATIVE SOLUTION OF THE INVERSE DYSON EQUATION FOR THE CALCULATION OF CORRELATION CORRECTED BAND STRUCTURES OF POLYMERS, Journal of computational physics, 125(2), 1996, pp. 477-487
Authors:
UTZ W
FORNER W
LADIK J
Citation: W. Utz et al., DYNAMICS OF ELECTRONICALLY EXCITED CYTOSINE STACKS, Journal of physics. Condensed matter, 7(26), 1995, pp. 5053-5066
Authors:
FORNER W
Citation: W. Forner, MULTIQUANTA STATES DERIVED FROM DAVYDOVS D(1) ANSATZ .1. EQUATIONS OFMOTION FOR THE SU-SCHRIEFFER-HEEGER HAMILTONIAN, Journal of physics. Condensed matter, 6(43), 1994, pp. 9089-9151
Authors:
FORNER W
Citation: W. Forner, THE PARISER-PARR-POPLE MODEL FOR TRANS-POLYENES .3. DERIVATION OF EQUATIONS OF MOTION FOR EXCITED-STATE DYNAMICS USING 2-DETERMINANTAL AND MCSCF TYPE ELECTRONIC WAVE-FUNCTIONS, Indian journal of chemistry. Sect. A: Inorganic, physical, theoretical & analytical, 33(6), 1994, pp. 461-479