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Results: 1-25/27
Authors:
KLOPPER W
HELGAKER T
Citation: W. Klopper et T. Helgaker, EXTRAPOLATION TO THE LIMIT OF A COMPLETE BASIS-SET FOR ELECTRONIC-STRUCTURE CALCULATIONS ON THE N-2 MOLECULE, Theoretical chemistry accounts, 99(4), 1998, pp. 265-271
Authors:
KLOPPER W
QUACK M
SUHM MA
Citation: W. Klopper et al., EXPLICITLY CORRELATED COUPLED-CLUSTER CALCULATIONS OF THE DISSOCIATION-ENERGIES AND BARRIERS TO CONCERTED HYDROGEN-EXCHANGE OF (HF)(N) OLIGOMERS (N = 2, 3, 4, 5), Molecular physics, 94(1), 1998, pp. 105-119
Authors:
KLOPPER W
QUACK M
SUHM MA
Citation: W. Klopper et al., HF DIMER - EMPIRICALLY REFINED ANALYTICAL POTENTIAL-ENERGY AND DIPOLEHYPERSURFACES FROM AB-INITIO CALCULATIONS, The Journal of chemical physics, 108(24), 1998, pp. 10096-10115
Authors:
HALKIER A
HELGAKER T
JORGENSEN P
KLOPPER W
KOCH H
OLSEN J
WILSON AK
Citation: A. Halkier et al., BASIS-SET CONVERGENCE IN CORRELATED CALCULATIONS ON NE, N-2, AND H2O, Chemical physics letters, 286(3-4), 1998, pp. 243-252
Authors:
KLOPPER W
NOGA J
KOCH H
HELGAKER T
Citation: W. Klopper et al., MULTIPLE BASIS-SETS IN CALCULATIONS OF TRIPLES CORRECTIONS IN COUPLED-CLUSTER THEORY, Theoretical chemistry accounts, 97(1-4), 1997, pp. 164-176
Authors:
KLOPPER W
Citation: W. Klopper, SIMPLE RECIPE FOR IMPLEMENTING COMPUTATION OF FIRST-ORDER RELATIVISTIC CORRECTIONS TO ELECTRON CORRELATION ENERGIES IN FRAMEWORK OF DIRECT PERTURBATION-THEORY, Journal of computational chemistry, 18(1), 1997, pp. 20-27
Authors:
MULLER H
KUTZELNIGG W
NOGA J
KLOPPER W
Citation: H. Muller et al., CH5- THE STORY GOES ON - AN EXPLICITLY CORRELATED COUPLED-CLUSTER STUDY( ), The Journal of chemical physics, 106(5), 1997, pp. 1863-1869
Authors:
HELGAKER T
KLOPPER W
KOCH H
NOGA J
Citation: T. Helgaker et al., BASIS-SET CONVERGENCE OF CORRELATED CALCULATIONS ON WATER, The Journal of chemical physics, 106(23), 1997, pp. 9639-9646
Authors:
TUNEGA D
NOGA J
KLOPPER W
Citation: D. Tunega et al., BASIS-SET LIMIT VALUE FOR THE STATIC DIPOLE POLARIZABILITY OF BERYLLIUM, Chemical physics letters, 269(5-6), 1997, pp. 435-440
Authors:
KLOPPER W
Citation: W. Klopper, INTEGRATED INTEGRAL EVALUATION, Journal of molecular structure. Theochem, 388, 1996, pp. 175-185
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
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
Authors:
KLOPPER W
QUACK M
SUHM MA
Citation: W. Klopper et al., A NEW AB-INITIO BASED 6-DIMENSIONAL SEMIEMPIRICAL PAIR INTERACTION POTENTIAL FOR HF, Chemical physics letters, 261(1-2), 1996, pp. 35-44
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
Authors:
BURGI T
GRAF S
LEUTWYLER S
KLOPPER W
Citation: T. Burgi et al., AN AB-INITIO DERIVED TORSIONAL POTENTIAL-ENERGY SURFACE FOR (H2O)(3) .1. ANALYTICAL REPRESENTATION AND STATIONARY-POINTS, The Journal of chemical physics, 103(3), 1995, pp. 1077-1084
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
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
Authors:
KLOPPER W
NOGA J
Citation: W. Klopper et J. Noga, AN EXPLICITLY CORRELATED COUPLED-CLUSTER CALCULATION OF THE HELIUM-HELIUM INTERATOMIC POTENTIAL, The Journal of chemical physics, 103(14), 1995, pp. 6127-6132
Authors:
NOGA J
TUNEGA D
KLOPPER W
KUTZELNIGG W
Citation: J. Noga et al., THE PERFORMANCE OF THE EXPLICITLY CORRELATED COUPLED-CLUSTER METHOD .1. THE 4-ELECTRON SYSTEMS BE, LI-, AND LIH, The Journal of chemical physics, 103(1), 1995, pp. 309-320
Authors:
KLOPPER W
Citation: W. Klopper, LIMITING VALUES FOR MOLLER-PLESSET 2ND-ORDER CORRELATION ENERGIES OF POLYATOMIC SYSTEMS - A BENCHMARK STUDY ON NE, HF, H2O, N-2, AND HE-CENTER-DOT-CENTER-DOT-CENTER-DOT-HE, The Journal of chemical physics, 102(15), 1995, pp. 6168-6179
Authors:
KLOPPER W
SCHUTZ M
Citation: W. Klopper et M. Schutz, 2-DIMENSIONAL MODEL TREATMENT OF TORSIONAL MOTIONS THE WATER TRIMER, Chemical physics letters, 237(5-6), 1995, pp. 536-544
Authors:
KLOPPER W
SCHUTZ M
Citation: W. Klopper et M. Schutz, AB-INITIO CALCULATIONS OF THE BINDING-ENERGIES OF SMALL (H2O)(N) CLUSTERS (N=1...4), Berichte der Bunsengesellschaft fur Physikalische Chemie, 99(3), 1995, pp. 469-473
Authors:
KLOPPER W
BAGROVA K
DUPISANIE J
RONANDER E
MEYER JA
VONBERGMANN HM
Citation: W. Klopper et al., SHORT-CAVITY HIGH-REPETITION-RATE CO2-LASER, Optical engineering, 33(9), 1994, pp. 2866-2869
Authors:
ROHSE R
KUTZELNIGG W
JAQUET R
KLOPPER W
Citation: R. Rohse et al., POTENTIAL-ENERGY SURFACE OF THE H-3(-STATE IN THE NEIGHBORHOOD OF THEMINIMUM WITH MICROHARTREE ACCURACY AND VIBRATIONAL FREQUENCIES DERIVED FROM IT() GROUND), The Journal of chemical physics, 101(3), 1994, pp. 2231-2243
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