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Results: 1-25/32
Authors:
KELLO V
SADLEJ AJ
FAEGRI K
Citation: V. Kello et al., ELECTRON CORRELATION AND RELATIVISTIC CONTRIBUTIONS TO DIPOLE-MOMENTSOF HEAVY OXIDES AND SULFIDES - SNO, PBO, SNS, AND PBS, The Journal of chemical physics, 108(5), 1998, pp. 2056-2066
Authors:
KELLO V
SADLEJ AJ
Citation: V. Kello et Aj. Sadlej, PICTURE CHANGE AND CALCULATIONS OF EXPECTATION VALUES IN APPROXIMATE RELATIVISTIC THEORIES, International journal of quantum chemistry, 68(3), 1998, pp. 159-174
Authors:
KELLO V
SADLEJ AJ
Citation: V. Kello et Aj. Sadlej, THE QUADRUPOLE-MOMENT OF THE K-39 AND K-41 NUCLEI FROM MICROWAVE DATAFOR KF AND KCL, Chemical physics letters, 292(4-6), 1998, pp. 403-410
Authors:
PAPADOPOULOS MG
SADLEJ AJ
Citation: Mg. Papadopoulos et Aj. Sadlej, INTERACTION EFFECTS ON ELECTRIC SUSCEPTIBILITIES - A MODEL STUDY OF POLARIZABILITIES OF THE BE ATOM EMBEDDED IN HE CLUSTERS, Chemical physics letters, 288(2-4), 1998, pp. 377-382
Authors:
BARYSZ M
SADLEJ AJ
Citation: M. Barysz et Aj. Sadlej, EXPECTATION VALUES OF OPERATORS IN APPROXIMATE 2-COMPONENT RELATIVISTIC THEORIES, Theoretical chemistry accounts, 97(1-4), 1997, pp. 260-270
Authors:
MIADOKOVA I
KELLO V
SADLEJ AJ
Citation: I. Miadokova et al., STANDARDIZED BASIS-SETS FOR HIGH-LEVEL-CORRELATED RELATIVISTIC CALCULATIONS OF ATOMIC AND MOLECULAR ELECTRIC PROPERTIES IN THE SPIN-AVERAGED DOUGLAS-KROLL APPROXIMATION .2. GROUPS IA AND IIA, Theoretical chemistry accounts, 96(3), 1997, pp. 166-175
Authors:
KLEIN S
KOCHANSKI E
STRICH A
SADLEJ AJ
Citation: S. Klein et al., CASSCF CASPT2 STUDIES OF THE LOWEST STATES OF H(5)O2(+)/, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(26), 1997, pp. 4799-4806
Authors:
URBAN M
SADLEJ AJ
Citation: M. Urban et Aj. Sadlej, BINDING OF ALUMINUM TO COINAGE METALS - ELECTRON CORRELATION AND RELATIVISTIC EFFECTS, Molecular physics, 92(3), 1997, pp. 587-600
Authors:
BARYSZ M
SADLEJ AJ
SNIJDERS JG
Citation: M. Barysz et al., NONSINGULAR TWO ONE-COMPONENT RELATIVISTIC HAMILTONIANS ACCURATE THROUGH ARBITRARY HIGH-ORDER IN ALPHA(2)/, International journal of quantum chemistry, 65(3), 1997, pp. 225-239
Authors:
NEOGRADY P
KELLO V
URBAN M
SADLEJ AJ
Citation: P. Neogrady et al., IONIZATION-POTENTIALS AND ELECTRON-AFFINITIES OF CU, AG, AND AU - ELECTRON CORRELATION AND RELATIVISTIC EFFECTS, International journal of quantum chemistry, 63(2), 1997, pp. 557-565
Authors:
SADLEJ AJ
Citation: Aj. Sadlej, CONSTRAINED SOLUTIONS OF THE EIGENVALUE PROBLEM IN TRUNCATED BASIS-SETS, International journal of quantum chemistry, 63(1), 1997, pp. 35-38
Authors:
PEREZ JJ
SADLEJ AJ
Citation: Jj. Perez et Aj. Sadlej, AB-INITIO CALCULATIONS OF THE POLARIZABILITY OF SOME AROMATIC-MOLECULES, Journal of molecular structure. Theochem, 371, 1996, pp. 31-36
Authors:
KLEIN S
KOCHANSKI E
STRICH A
SADLEJ AJ
Citation: S. Klein et al., ELECTRIC PROPERTIES OF THE WATER MOLECULE IN (1)A(1),B-1(1), AND B-3(1) ELECTRONIC STATES - REFINED CASSCF AND CASPT2 CALCULATIONS, Theoretica Chimica Acta, 94(2), 1996, pp. 75-91
Authors:
KELLO V
SADLEJ AJ
Citation: V. Kello et Aj. Sadlej, STANDARDIZED BASIS-SETS FOR HIGH-LEVEL-CORRELATED RELATIVISTIC CALCULATIONS OF ATOMIC AND MOLECULAR ELECTRIC PROPERTIES IN THE SPIN-AVERAGED DOUGLAS-KROLL (NO-PAIR) APPROXIMATION .1. GROUPS IB AND IIB, Theoretica Chimica Acta, 94(2), 1996, pp. 93-104
Authors:
NEOGRADY P
KELLO V
URBAN M
SADLEJ AJ
Citation: P. Neogrady et al., POLARIZED BASIS-SETS FOR HIGH-LEVEL-CORRELATED CALCULATIONS OF MOLECULAR ELECTRIC PROPERTIES .7. ELEMENTS OF THE GROUP IB - CU, AG, AU, Theoretica Chimica Acta, 93(2), 1996, pp. 101-129
Authors:
KELLO V
SADLEJ AJ
Citation: V. Kello et Aj. Sadlej, DETERMINATION OF THE QUADRUPOLE-MOMENT OF THE HALOGEN NUCLEI (CL, BR,I) FROM MOLECULAR-DATA, Molecular physics, 89(1), 1996, pp. 127-137
Authors:
KELLO V
SADLEJ AJ
HESS BA
Citation: V. Kello et al., RELATIVISTIC EFFECTS ON ELECTRIC PROPERTIES OF MANY-ELECTRON SYSTEMS IN SPIN-AVERAGED DOUGLAS-KROLL AND PAULI APPROXIMATIONS, The Journal of chemical physics, 105(5), 1996, pp. 1995-2003
Authors:
FOWLER PW
PEEBLES SA
LEGON AC
SADLEJ AJ
Citation: Pw. Fowler et al., ELECTRIC-FIELD GRADIENTS AND STERNHEIMER-TYPE PROPERTIES OF THE BRCL MOLECULE - CORRELATED, RELATIVISTIC, AB-INITIO CALCULATIONS AND MODELING OF NUCLEAR-QUADRUPOLE COUPLING-CONSTANTS IN COMPLEXES B-CENTER-DOT-CENTER-DOT-CENTER-DOT-BRCL, Chemical physics letters, 257(3-4), 1996, pp. 249-256
Authors:
KELLO V
URBAN M
SADLEJ AJ
Citation: V. Kello et al., ELECTRIC-DIPOLE POLARIZABILITIES OF NEGATIVE-IONS OF THE COINAGE METAL ATOMS, Chemical physics letters, 253(5-6), 1996, pp. 383-389
Authors:
SNIJDERS JG
SADLEJ AJ
Citation: Jg. Snijders et Aj. Sadlej, PERTURBATION VERSUS VARIATION TREATMENT OF REGULAR RELATIVISTIC HAMILTONIANS, Chemical physics letters, 252(1-2), 1996, pp. 51-61
Authors:
NEOGRADY P
URBAN M
SADLEJ AJ
Citation: P. Neogrady et al., OPEN-SHELL VAN-DER-WAALS COMPLEXES OF THE COINAGE METALS - CU...H20, AG...H2O, CU...H2S, AND AG...H2S, Journal of molecular structure. Theochem, 332(3), 1995, pp. 197-207
Authors:
KELLO V
SADLEJ AJ
Citation: V. Kello et Aj. Sadlej, ELECTRON CORRELATION AND RELATIVISTIC EFFECTS IN THE COINAGE METAL-COMPOUNDS .1. THE COINAGE METAL-HYDRIDES, Theoretica Chimica Acta, 92(4), 1995, pp. 253-267
Authors:
KELLO V
SADLEJ AJ
Citation: V. Kello et Aj. Sadlej, POLARIZED BASIS-SETS FOR HIGH-LEVEL-CORRELATED CALCULATIONS OF MOLECULAR ELECTRIC PROPERTIES .8. ELEMENTS OF THE GROUP-IIB - ZN, CD, HG, Theoretica Chimica Acta, 91(5-6), 1995, pp. 353-371
Authors:
KELLO V
SADLEJ AJ
Citation: V. Kello et Aj. Sadlej, ELECTRON CORRELATION AND RELATIVISTIC EFFECTS IN THE COINAGE METAL-COMPOUNDS .2. HETERONUCLEAR DIMERS - CUAG, CUAU, AND AGAU, The Journal of chemical physics, 103(8), 1995, pp. 2991-2999
Authors:
URBAN M
SADLEJ AJ
Citation: M. Urban et Aj. Sadlej, ELECTRONIC-STRUCTURE AND ELECTRIC PROPERTIES OF THE ALKALI-METAL DIMERS, The Journal of chemical physics, 103(22), 1995, pp. 9692-9704