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Results: 1-20 |
Results: 20
PHOTOCHEMICAL TRANS-CIS ISOMERIZATION OF DONOR ACCEPTOR-SUBSTITUTED (E)-HEX-3-ENE-1,5-DIYNES (1,2-DIETHYNYLETHENES, DEES) AND 3,4-DIETHYNYLHEX-3-ENE-1,5-DIYNES (TETRAETHYNYLETHENES, TEES)/
Authors: MARTIN RE BARTEK J DIEDERICH F TYKWINSKI RR MEISTER EC HILGER A LUTHI HP
Citation: Re. Martin et al., PHOTOCHEMICAL TRANS-CIS ISOMERIZATION OF DONOR ACCEPTOR-SUBSTITUTED (E)-HEX-3-ENE-1,5-DIYNES (1,2-DIETHYNYLETHENES, DEES) AND 3,4-DIETHYNYLHEX-3-ENE-1,5-DIYNES (TETRAETHYNYLETHENES, TEES)/, Perkin transactions. 2, (2), 1998, pp. 233-241
NETWORK COMPUTING - THE HARTREE-FOCK CALCULATION AS A MODEL
Authors: LUTHI HP
Citation: Hp. Luthi, NETWORK COMPUTING - THE HARTREE-FOCK CALCULATION AS A MODEL, Theoretical chemistry accounts, 97(1-4), 1997, pp. 211-226
THE IMPORTANCE OF CHARGE-TRANSFER BETWEEN THE RETINAL CHROMOPHORE ANDTHE PROTEIN ENVIRONMENT IN BACTERIORHODOPSIN - A THEORETICAL-ANALYSISON REDUCED AND OXIDIZED CHROMOPHORES
Authors: SAKAI K VACEK G LUTHI HP NAGASHIMA U
Citation: K. Sakai et al., THE IMPORTANCE OF CHARGE-TRANSFER BETWEEN THE RETINAL CHROMOPHORE ANDTHE PROTEIN ENVIRONMENT IN BACTERIORHODOPSIN - A THEORETICAL-ANALYSISON REDUCED AND OXIDIZED CHROMOPHORES, Photochemistry and photobiology, 66(4), 1997, pp. 532-540
TETRAHEDRAL QUADRANIONIC CARBON CLUSTERS
Authors: ENLOW M ORTIZ JV LUTHI HP
Citation: M. Enlow et al., TETRAHEDRAL QUADRANIONIC CARBON CLUSTERS, Molecular physics, 92(3), 1997, pp. 441-444
TEACHING AB-INITIO QUANTUM-CHEMISTRY IN A NETWORKED ENVIRONMENT
Authors: FLUKIGER P VACEK G HILGER A LUTHI HP
Citation: P. Flukiger et al., TEACHING AB-INITIO QUANTUM-CHEMISTRY IN A NETWORKED ENVIRONMENT, Chimia, 51(3), 1997, pp. 100-106
ELECTRONIC CHARACTERISTICS OF ARYLATED TETRAETHYNYLETHENES - A COOPERATIVE COMPUTATIONAL AND ELECTROCHEMICAL INVESTIGATION
Authors: HILGER A GISSELBRECHT JP TYKWINSKI RR BOUDON C SCHREIBER M MARTIN RE LUTHI HP GROSS M DIEDERICH F
Citation: A. Hilger et al., ELECTRONIC CHARACTERISTICS OF ARYLATED TETRAETHYNYLETHENES - A COOPERATIVE COMPUTATIONAL AND ELECTROCHEMICAL INVESTIGATION, Journal of the American Chemical Society, 119(9), 1997, pp. 2069-2078
HOW WELL DOES COUPLED-CLUSTER THEORY PREDICT EQUILIBRIUM GEOMETRIES OF TRANSITION-METAL COMPOUNDS - A STUDY ON SOME CLASSICAL MONONUCLEAR CLOSED-SHELL SANDWICH AND CARBONYL-COMPLEXES
Authors: LUTHI HP
Citation: Hp. Luthi, HOW WELL DOES COUPLED-CLUSTER THEORY PREDICT EQUILIBRIUM GEOMETRIES OF TRANSITION-METAL COMPOUNDS - A STUDY ON SOME CLASSICAL MONONUCLEAR CLOSED-SHELL SANDWICH AND CARBONYL-COMPLEXES, Journal of molecular structure. Theochem, 388, 1996, pp. 299-304
AN ECLIPSED C(SP)3-CH3 BOND - AN AB-INITIO INVESTIGATION OF AN ATYPICAL ROTATION BARRIER
Authors: VACEK G KLOPPER W LUTHI HP
Citation: G. Vacek et al., AN ECLIPSED C(SP)3-CH3 BOND - AN AB-INITIO INVESTIGATION OF AN ATYPICAL ROTATION BARRIER, Molecular physics, 89(1), 1996, pp. 315-329
TOWARDS THE ACCURATE COMPUTATION OF PROPERTIES OF TRANSITION-METAL COMPOUNDS - THE BINDING-ENERGY OF FERROCENE
Authors: KLOPPER W LUTHI HP
Citation: W. Klopper et Hp. Luthi, TOWARDS THE ACCURATE COMPUTATION OF PROPERTIES OF TRANSITION-METAL COMPOUNDS - THE BINDING-ENERGY OF FERROCENE, Chemical physics letters, 262(5), 1996, pp. 546-552
EXPLORING THE BOUNDARY BETWEEN AROMATIC AND OLEFINIC CHARACTER - BAD-NEWS FOR 2ND-ORDER PERTURBATION-THEORY AND DENSITY-FUNCTIONAL SCHEMES
Authors: SULZBACH HM SCHAEFER HF KLOPPER W LUTHI HP
Citation: Hm. Sulzbach et al., EXPLORING THE BOUNDARY BETWEEN AROMATIC AND OLEFINIC CHARACTER - BAD-NEWS FOR 2ND-ORDER PERTURBATION-THEORY AND DENSITY-FUNCTIONAL SCHEMES, Journal of the American Chemical Society, 118(14), 1996, pp. 3519-3520
A NEW OPTIMIZATION TECHNIQUE FOR ARTIFICIAL NEURAL NETWORKS APPLIED TO PREDICTION OF FORCE-CONSTANTS OF LARGE MOLECULES
Authors: FISCHER TH PETERSEN WP LUTHI HP
Citation: Th. Fischer et al., A NEW OPTIMIZATION TECHNIQUE FOR ARTIFICIAL NEURAL NETWORKS APPLIED TO PREDICTION OF FORCE-CONSTANTS OF LARGE MOLECULES, Journal of computational chemistry, 16(8), 1995, pp. 923-936
AN AB-INITIO DERIVED TORSIONAL POTENTIAL-ENERGY SURFACE FOR (H2O)(3) .2. BENCHMARK STUDIES AND INTERACTION ENERGIES
Authors: KLOPPER W SCHUTZ M LUTHI HP LEUTWYLER S
Citation: W. Klopper et al., AN AB-INITIO DERIVED TORSIONAL POTENTIAL-ENERGY SURFACE FOR (H2O)(3) .2. BENCHMARK STUDIES AND INTERACTION ENERGIES, The Journal of chemical physics, 103(3), 1995, pp. 1085-1098
THE MOLECULAR AND ELECTRONIC-STRUCTURE OF S-TETRAZINE IN THE GROUND AND FIRST EXCITED-STATE - A THEORETICAL INVESTIGATION
Authors: SCHUTZ M HUTTER J LUTHI HP
Citation: M. Schutz et al., THE MOLECULAR AND ELECTRONIC-STRUCTURE OF S-TETRAZINE IN THE GROUND AND FIRST EXCITED-STATE - A THEORETICAL INVESTIGATION, The Journal of chemical physics, 103(16), 1995, pp. 7048-7057
LOW-LYING STATIONARY PAINTS AND TORSIONAL INTERCONVERSIONS OF CYCLIC (H2O)(4) - AN AB-INITIO STUDY
Authors: SCHUTZ M KLOPPER W LUTHI HP LEUTWYLER S
Citation: M. Schutz et al., LOW-LYING STATIONARY PAINTS AND TORSIONAL INTERCONVERSIONS OF CYCLIC (H2O)(4) - AN AB-INITIO STUDY, The Journal of chemical physics, 103(14), 1995, pp. 6114-6126
THE MECHANISM OF SPECTRAL SHIFT AND INHOMOGENEOUS BROADENING OF AN AROMATIC CHROMOPHORE IN A POLYMER GLASS
Authors: LEONTIDIS E SUTER UW SCHUTZ M LUTHI HP RENN A WILD UP
Citation: E. Leontidis et al., THE MECHANISM OF SPECTRAL SHIFT AND INHOMOGENEOUS BROADENING OF AN AROMATIC CHROMOPHORE IN A POLYMER GLASS, Journal of the American Chemical Society, 117(28), 1995, pp. 7493-7507
THE MOLECULAR-STRUCTURE OF C-6 - A THEORETICAL INVESTIGATION
Authors: HUTTER J LUTHI HP
Citation: J. Hutter et Hp. Luthi, THE MOLECULAR-STRUCTURE OF C-6 - A THEORETICAL INVESTIGATION, The Journal of chemical physics, 101(3), 1994, pp. 2213-2216
AB-INITIO COMPUTATIONS CLOSE TO THE ONE-PARTICLE BASIS-SET LIMIT ON THE WEAKLY-BOUND VAN-DER-WAALS COMPLEXES BENZENE NEON AND BENZENE ARGON
Authors: KLOPPER W LUTHI HP BRUPBACHER T BAUDER A
Citation: W. Klopper et al., AB-INITIO COMPUTATIONS CLOSE TO THE ONE-PARTICLE BASIS-SET LIMIT ON THE WEAKLY-BOUND VAN-DER-WAALS COMPLEXES BENZENE NEON AND BENZENE ARGON, The Journal of chemical physics, 101(11), 1994, pp. 9747-9754
BINDING-ENERGIES, MOLECULAR-STRUCTURES, AND VIBRATIONAL FREQUENCIES OF TRANSITION-METAL CARBONYLS USING DENSITY-FUNCTIONAL THEORY WITH GRADIENT CORRECTIONS
Authors: DELLEY B WRINN M LUTHI HP
Citation: B. Delley et al., BINDING-ENERGIES, MOLECULAR-STRUCTURES, AND VIBRATIONAL FREQUENCIES OF TRANSITION-METAL CARBONYLS USING DENSITY-FUNCTIONAL THEORY WITH GRADIENT CORRECTIONS, The Journal of chemical physics, 100(8), 1994, pp. 5785-5791
STRUCTURES AND VIBRATIONAL FREQUENCIES OF THE CARBON MOLECULES C2-C18CALCULATED BY DENSITY-FUNCTIONAL THEORY
Authors: HUTTER J LUTHI HP DIEDERICH F
Citation: J. Hutter et al., STRUCTURES AND VIBRATIONAL FREQUENCIES OF THE CARBON MOLECULES C2-C18CALCULATED BY DENSITY-FUNCTIONAL THEORY, Journal of the American Chemical Society, 116(2), 1994, pp. 750-756
THE GROUP-OF-SWISS-COMPUTATIONAL-CHEMISTS (GSCC)
Authors: LUTHI HP
Citation: Hp. Luthi, THE GROUP-OF-SWISS-COMPUTATIONAL-CHEMISTS (GSCC), Chimia, 47(11), 1993, pp. 434-435
Risultati: 1-20 |