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Results: 1-17 |
Results: 17
EFFECT OF EXCHANGE-CORRELATION FUNCTIONALS AND SYMMETRY CONSTRAINTS OF ELECTRONIC-STRUCTURE ON THE TRAJECTORIES OF REACTIVE MOLECULAR-COLLISIONS
Authors: WARREN RW DUNLAP BI
Citation: Rw. Warren et Bi. Dunlap, EFFECT OF EXCHANGE-CORRELATION FUNCTIONALS AND SYMMETRY CONSTRAINTS OF ELECTRONIC-STRUCTURE ON THE TRAJECTORIES OF REACTIVE MOLECULAR-COLLISIONS, Physical review. A, 57(2), 1998, pp. 899-905
QUANTUM-CHEMICAL MOLECULAR-DYNAMICS
Authors: DUNLAP BI
Citation: Bi. Dunlap, QUANTUM-CHEMICAL MOLECULAR-DYNAMICS, International journal of quantum chemistry, 69(3), 1998, pp. 317-325
ACCURATE DENSITY-FUNCTIONAL CALCULATIONS ON LARGE SYSTEMS
Authors: DUNLAP BI
Citation: Bi. Dunlap, ACCURATE DENSITY-FUNCTIONAL CALCULATIONS ON LARGE SYSTEMS, International journal of quantum chemistry, 64(2), 1997, pp. 193-203
LOCAL-DENSITY-FUNCTIONAL STUDY OF THE FULLERENES, GRAPHENE AND GRAPHITE
Authors: DUNLAP BI BOETTGER JC
Citation: Bi. Dunlap et Jc. Boettger, LOCAL-DENSITY-FUNCTIONAL STUDY OF THE FULLERENES, GRAPHENE AND GRAPHITE, Journal of physics. B, Atomic molecular and optical physics, 29(21), 1996, pp. 4907-4913
AMMONIUM-NITRATE CLUSTER IONS
Authors: DUNLAP BI DOYLE RJ
Citation: Bi. Dunlap et Rj. Doyle, AMMONIUM-NITRATE CLUSTER IONS, Journal of physical chemistry, 100(13), 1996, pp. 5281-5285
ACCURATE DENSITY-FUNCTIONAL CALCULATIONS ON LARGE SYSTEMS
Authors: DUNLAP BI
Citation: Bi. Dunlap, ACCURATE DENSITY-FUNCTIONAL CALCULATIONS ON LARGE SYSTEMS, International journal of quantum chemistry, 58(2), 1996, pp. 123-132
FRACTIONAL OCCUPATION NUMBERS AND DENSITY-FUNCTIONAL ENERGY GRADIENTSWITHIN THE LINEAR COMBINATION OF GAUSSIAN-TYPE ORBITALS APPROACH
Authors: WARREN RW DUNLAP BI
Citation: Rw. Warren et Bi. Dunlap, FRACTIONAL OCCUPATION NUMBERS AND DENSITY-FUNCTIONAL ENERGY GRADIENTSWITHIN THE LINEAR COMBINATION OF GAUSSIAN-TYPE ORBITALS APPROACH, Chemical physics letters, 262(3-4), 1996, pp. 384-392
REARRANGEMENTS OF AMMONIUM-NITRATE CLUSTER IONS WITH HIGH INTERNAL ENERGY
Authors: DOYLE RJ DUNLAP BI
Citation: Rj. Doyle et Bi. Dunlap, REARRANGEMENTS OF AMMONIUM-NITRATE CLUSTER IONS WITH HIGH INTERNAL ENERGY, Journal de physique. IV, 5(C4), 1995, pp. 417-422
CONSTRAINTS ON SMALL GRAPHITIC HELICES
Authors: DUNLAP BI
Citation: Bi. Dunlap, CONSTRAINTS ON SMALL GRAPHITIC HELICES, Physical review. B, Condensed matter, 50(11), 1994, pp. 8134-8137
RELATING CARBON TUBULES
Authors: DUNLAP BI
Citation: Bi. Dunlap, RELATING CARBON TUBULES, Physical review. B, Condensed matter, 49(8), 1994, pp. 5643-5650
ATTACHMENT OF 2 ELECTRONS TO C60F48 - COULOMB BARRIERS IN DOUBLY-CHARGED ANIONS
Authors: HETTICH RL COMPTON RN TUINMAN A DERECSKEIKOVACS A MARYNICK DS DUNLAP BI
Citation: Rl. Hettich et al., ATTACHMENT OF 2 ELECTRONS TO C60F48 - COULOMB BARRIERS IN DOUBLY-CHARGED ANIONS, Physical review letters, 73(21), 1994, pp. 2821-2824
SYMMETRICAL ISOMERS OF C60H36
Authors: DUNLAP BI BRENNER DW SCHRIVER GW
Citation: Bi. Dunlap et al., SYMMETRICAL ISOMERS OF C60H36, Journal of physical chemistry, 98(7), 1994, pp. 1756-1757
OCTAHEDRAL C-48 AND UNIFORM STRAIN
Authors: DUNLAP BI TAYLOR R
Citation: Bi. Dunlap et R. Taylor, OCTAHEDRAL C-48 AND UNIFORM STRAIN, Journal of physical chemistry, 98(43), 1994, pp. 11018-11019
REARRANGEMENTS IN NEGATIVELY CHARGED AMMONIUM-NITRATE CLUSTERS
Authors: DOYLE RJ DUNLAP BI
Citation: Rj. Doyle et Bi. Dunlap, REARRANGEMENTS IN NEGATIVELY CHARGED AMMONIUM-NITRATE CLUSTERS, Journal of physical chemistry, 98(34), 1994, pp. 8261-8263
THE SIGMA-ASTERISK ABSORPTION PEAK AT THE OXYGEN 1S EDGE OF O-2 - EXCHANGE SPLITTING, ULTRAFAST DISSOCIATION, AND ATOMIC-LIKE AUGER-SPECTRA
Authors: KUIPER P DUNLAP BI
Citation: P. Kuiper et Bi. Dunlap, THE SIGMA-ASTERISK ABSORPTION PEAK AT THE OXYGEN 1S EDGE OF O-2 - EXCHANGE SPLITTING, ULTRAFAST DISSOCIATION, AND ATOMIC-LIKE AUGER-SPECTRA, The Journal of chemical physics, 100(6), 1994, pp. 4087-4092
QUANTUM-CHEMICAL STUDIES OF BORON FULLERENE ANALOGS
Authors: DERECSKEIKOVACS A DUNLAP BI LIPSCOMB WN LOWREY A MARYNICK DS MASSA L
Citation: A. Derecskeikovacs et al., QUANTUM-CHEMICAL STUDIES OF BORON FULLERENE ANALOGS, Inorganic chemistry, 33(25), 1994, pp. 5617-5619
GIANT MAGNETIC-MOMENTS IN 4D CLUSTERS
Authors: REDDY BV KHANNA SN DUNLAP BI
Citation: Bv. Reddy et al., GIANT MAGNETIC-MOMENTS IN 4D CLUSTERS, Physical review letters, 70(21), 1993, pp. 3323-3326
Risultati: 1-17 |