共 50 条
- [41] MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF MOLECULES .37. TRANSITION-STATES FOR INTERNAL-ROTATION IN ALLENEJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (22) : 7103 - 7105SEEGER, RKRISHNAN, RPOPLE, JASCHLEYER, PV
- [44] ELECTRONIC-STRUCTURE OF ORGANOMETALLIC COMPOUNDS .12. A CNDO-INDO MOLECULAR-ORBITAL FORMALISM FOR THE ELEMENTS H TO BR THEORYTHEORETICA CHIMICA ACTA, 1981, 59 (02): : 127 - 151BOHM, MCGLEITER, R
- [45] THE ELECTRONIC-STRUCTURE OF FERROUS HEME WITH IMIDAZOLE AS THE 5TH LIGAND .1. SCF-LCAO-ASMO AND CL CALCULATION ON THE LOW-LYING MULTIPLETS AND OPTICALLY ALLOWED EXCITED-STATESJOURNAL OF CHEMICAL PHYSICS, 1980, 72 (11): : 6048 - 6058SENO, YKAMEDA, NOTSUKA, J
- [46] ELECTRONIC-STRUCTURE OF THE GROUND-STATE AND CALCULATED SPECTRUM OF LOW-LYING EXCITED-STATES OF MO(3)X(4)(AQ)(9)(4+) (X=O, S) CLUSTER IONSCHEMICAL PHYSICS LETTERS, 1993, 216 (3-6) : 353 - 358CHENG, WDHUANG, JSZHANG, QE
- [48] MOLECULAR-ORBITAL THEORY OF THE ELECTRONIC-STRUCTURE OF ORGANIC-MOLECULES .40. STRUCTURES AND ENERGIES OF C-1-C-3 CARBOCATIONS, INCLUDING EFFECTS OF ELECTRON CORRELATIONJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (19) : 5649 - 5657RAGHAVACHARI, KWHITESIDE, RAPOPLE, JASCHLEYER, PV
- [49] MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .22. STRUCTURES AND STABILITIES OF C3H3+ AND C3H+ CATIONSJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (01) : 10 - 14RADOM, LHARIHARAN, PCPOPLE, JASCHLEYER, PV
- [50] MOLECULAR-ORBITAL THEORY OF THE ELECTRONIC-STRUCTURE OF ORGANIC-COMPOUNDS .3. A CNDO/S-CI SCF-MO STUDY ON THE LOWER ELECTRONIC STATES OF LARGE MOLECULES - SINGLET-SINGLET TRANSITIONS OF DIOXODIAZACYCLOALKANESZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1981, 36 (05): : 494 - 501GRINBERG, HNUDELMAN, NSMARANON, JSORARRAIN, OMGOMEZ, CF