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Results: 51-63/63
Authors:
CREMER D
ZHI H
Citation: D. Cremer et H. Zhi, SIZE-EXTENSIVE QCISDT - IMPLEMENTATION AND APPLICATION, Chemical physics letters, 222(1-2), 1994, pp. 40-45
Authors:
KRAKA E
CREMER D
Citation: E. Kraka et D. Cremer, ORTHO-BENZYNE, META-BENZYNE, AND PARA-BENZYNE - A COMPARATIVE CCSD(T)INVESTIGATION (VOL 216, PG 333, 1993), Chemical physics letters, 219(1-2), 1994, pp. 160-160
Authors:
KRAKA E
CREMER D
Citation: E. Kraka et D. Cremer, CCSD(T) INVESTIGATION OF THE BERGMAN CYCLIZATION OF ENEDIYNE - RELATIVE STABILITY OF O-DIDEHYDROBENZENE, M-DIDEHYDROBENZENE, AND P-DIDEHYDROBENZENE, Journal of the American Chemical Society, 116(11), 1994, pp. 4929-4936
Authors:
SIEBER S
SCHLEYER PV
OTTO AH
GAUSS J
REICHEL F
CREMER D
Citation: S. Sieber et al., STRUCTURE, STABILIZATION ENERGIES AND CHEMICAL-SHIFTS OF THE CYCLOBUTENYL CATION - DOES IT HAVE AROMATIC HOMOCYCLOPROPENIUM ION CHARACTER -AN AB-INITIO STUDY, Journal of physical organic chemistry, 6(8), 1993, pp. 445-464
Authors:
HE Z
CREMER D
Citation: Z. He et D. Cremer, ANALYSIS OF COUPLED-CLUSTER METHODS .2. WHAT IS THE BEST WAY TO ACCOUNT FOR TRIPLE EXCITATIONS IN COUPLED-CLUSTER THEORY, Theoretica Chimica Acta, 85(4), 1993, pp. 305-323
Authors:
LIEDTKE M
SALECK AH
YAMADA KMT
WINNEWISSER G
CREMER D
KRAKA E
DOLGNER A
HAHN J
DOBOS S
Citation: M. Liedtke et al., DISCOVERY OF TRANS-HSSSH, Journal of physical chemistry, 97(43), 1993, pp. 11204-11210
Authors:
KRAKA E
GAUSS J
CREMER D
Citation: E. Kraka et al., ACCURATE COUPLED-CLUSTER REACTION ENTHALPIES AND ACTIVATION-ENERGIES FOR X-2-]XH+H (X=F, OH, NH2, AND CH3)(H), The Journal of chemical physics, 99(7), 1993, pp. 5306-5315
Authors:
CREMER D
OLSSON L
REICHEL F
KRAKA E
Citation: D. Cremer et al., CALCULATION OF NMR CHEMICAL-SHIFTS - THE 3RD DIMENSION OF QUANTUM-CHEMISTRY, Israel Journal of Chemistry, 33(4), 1993, pp. 369-385
Authors:
KRAKA E
CREMER D
Citation: E. Kraka et D. Cremer, ORTHO-BENZYNE, META-BENZYNE, AND PARA-BENZYNE - A COMPARATIVE CCSD(T)INVESTIGATION, Chemical physics letters, 216(3-6), 1993, pp. 333-340
Authors:
OLSSON L
CREMER D
Citation: L. Olsson et D. Cremer, EVIDENCE FOR THE EXISTENCE OF SILYLIUM CATIONS IN CONDENSED PHASES, Chemical physics letters, 215(5), 1993, pp. 433-443
Authors:
CREMER D
GAUSS J
KRAKA E
STANTON JF
BARTLETT RJ
Citation: D. Cremer et al., A CCSD(T) INVESTIGATION OF CARBONYL OXIDE AND DIOXIRANE - EQUILIBRIUMGEOMETRIES, DIPOLE-MOMENTS, INFRARED-SPECTRA, HEATS OF FORMATION AND ISOMERIZATION ENERGIES, Chemical physics letters, 209(5-6), 1993, pp. 547-556
EXPLORATION OF THE POTENTIAL-ENERGY SURFACE OF C9H9-INITIO METHODS .1. THE BARBARALYL CATION( BY AB)
Authors:
CREMER D
SVENSSON P
KRAKA E
AHLBERG P
Citation: D. Cremer et al., EXPLORATION OF THE POTENTIAL-ENERGY SURFACE OF C9H9-INITIO METHODS .1. THE BARBARALYL CATION( BY AB), Journal of the American Chemical Society, 115(16), 1993, pp. 7445-7456
Authors:
CREMER D
SVENSSON P
KRAKA E
KONKOLI Z
AHLBERG P
Citation: D. Cremer et al., EXPLORATION OF THE POTENTIAL-ENERGY SURFACE OF C9H9-INITIO METHODS .2. IS THE 1,4-BISHOMOTROPYLIUM CATION A BISHOMOAROMATIC PROTOTYPE( BY AB), Journal of the American Chemical Society, 115(16), 1993, pp. 7457-7464