68 results on '"McIver, James. W."'
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52. INDO [intermediate neglect of differential overlap] perturbation theory of magnetic shielding constants. Cabon-13 chemical shifts
53. Virtual radicals. Molecular orbital study of the relationship between some electron spin coupling constants
54. ChemInform Abstract: EXISTENZ SYMMETRISCHER UEBERGANGSZUSTAENDE BEI CYCLOADDITIONSRK.
55. Structure of transition states in organic reactions. General theory and an application to the cyclobutene-butadiene isomerization using a semiempirical molecular orbital method
56. Existence of symmetric transition states for cycloaddition reactions
57. Structure of transition states in organic reactions. II. MINDO [modified intermediate neglect of differential overlap]/2 study of the cyclohexane inversion
58. ChemInform Abstract: STRUKTUR VON UEBERGANGSZUSTAENDEN BEI ORGANISCHEN RK., ALLGEMEINE THEORIE UND ANWENDUNG AUGF DIE CYCLOBUTEN-BUTADIEN-ISOMERISIERUNG UNTER VERW. EINER HALBEMPIRISCHEN MOLEKUELORBITALMETHODE
59. ChemInform Abstract: VIRTUELLE RADIKALE, MO‐UNTERSUCHUNG DER BEZIEHUNG ZWISCHEN ESR‐ UND NMR‐SPIN‐KOPPLUNGS‐KONSTANTEN
60. INDO molecular orbital calculation of anisotropic hyperfine coupling constants
61. ChemInform Abstract: INDO-STOERUNGSTHEORIE DER MAGNETISCHEN ABSCHIRMKONSTANTEN, CHEMISCHE VERSCHIEBUNG VON KOHLENSTOFF-13
62. ChemInform Abstract: STRUCTURE OF TRANSITION STATES IN ORGANIC REACTIONS PART 2, MINDO/2 STUDY OF THE CYCLOHEXANE INVERSION
63. ChemInform Abstract: SYMMETRIE‐AUSWAHLREGELN FUER UEBERGANGSZUSTAENDE
64. An efficient abinitiomethod for computing infrared and Raman intensities: Application to ethylene
65. An efficient abinitio method for computing infrared and Raman intensities: Application to ethylene
66. Optical Stark effect in 2D semiconductors
67. A molecular orbital study of a model of the Mg 2+ coordination complex of the self splicing reaction of ribosomal RNA
68. Valley-selective optical Stark effect in monolayer WS2.
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