Report date: Nov 6,2024 Conflict count: 361874 Publisher: Springer-Verlag Title count: 281 Conflict count: 3959 ========================================================== Created: 2005-07-14 00:18:26 ConfID: 4612147 CauseID: 195688891 OtherID: 6217,708594916 JT: Theoretica Chimica Acta MD: Molzberger,94,4,213,1996,Numerical investigations of different orders of relativistic effects in atomic shells DOI: 10.1007/s002140050176(Journal) (4612147-N) DOI: 10.1007/BF00186443(Journal) ========================================================== Created: 2022-09-12 05:28:24 ConfID: 4637467 CauseID: 1541375853 JT: Theoretica Chimica Acta MD: Fonte,59,5,533,1981,Convergence of the Rayleigh—Ritz method in self-consistent-field and multiconfiguration self-consistent-field calculations DOI: 10.1007/PL00020721(Journal) (4637467-N) ========================================================== Created: 2005-07-14 00:18:26 ConfID: 4613066 CauseID: 195688891 OtherID: 6217,708594914 JT: Theoretica Chimica Acta MD: Ceulemans,94,4,205,1996,Isostationary functions for multimode and multilevel Jahn-Teller systems DOI: 10.1007/s002140050175(Journal) (4613066-N) DOI: 10.1007/BF00186442(Journal) ========================================================== Created: 2022-09-12 05:27:49 ConfID: 4573074 CauseID: 1541375745 JT: Theoretica Chimica Acta MD: Imamura,54,1,1,1979,Molecular orbital theory of the electronic structures of one-dimensional molecular crystals DOI: 10.1007/PL00020718(Journal) (4573074-N) ========================================================== Created: 2022-09-12 05:28:22 ConfID: 4876473 CauseID: 1541375861 JT: Theoretica Chimica Acta MD: Molino,60,3,299,1981,A comment on SCF energy partitioning schemes DOI: 10.1007/PL00020467(Journal) (4876473-N) ========================================================== Created: 2005-07-14 00:18:26 ConfID: 4599316 CauseID: 195688891 OtherID: 6217,708594949 JT: Theoretica Chimica Acta MD: Zhao,94,4,223,1996,A model study of intramolecular energy transfer in polyatomic molecular reactions DOI: 10.1007/s002140050177(Journal) (4599316-N) DOI: 10.1007/BF00186444(Journal) ========================================================== Created: 2005-07-14 00:14:55 ConfID: 4681407 CauseID: 195687987 OtherID: 6217,708594983 JT: Theoretica Chimica Acta MD: Yu,94,3,125,1996,Young operator methods for fermion systems DOI: 10.1007/s002140050168(Journal) (4681407-N) DOI: 10.1007/BF00191644(Journal) ========================================================== Created: 2022-09-12 05:27:53 ConfID: 6583268 CauseID: 1541375753 OtherID: 251591556 JT: Theoretica Chimica Acta MD: Demoulin,48,2,143,1978,A quantum-mechanical study of the interaction of glyoxal with guanine DOI: 10.1007/BF02399024(Journal) (6583268-N) DOI: 10.1007/PL00020707(Journal) ========================================================== Created: 2022-09-12 05:27:54 ConfID: 6583269 CauseID: 1541375756 OtherID: 247829774 JT: Theoretica Chimica Acta MD: Talaty,48,4,331,1978,Local orbital study of bonding in small rings: Cyclopropane, thiirane, oxirane, and aziridine DOI: 10.1007/BF02394590(Journal) (6583269-N) DOI: 10.1007/PL00020132(Journal) ========================================================== Created: 2022-09-12 05:27:51 ConfID: 6583270 CauseID: 1541375760 OtherID: 247829774 JT: Theoretica Chimica Acta MD: Jaszuński,48,4,323,1978,Magnetic susceptibility of the BH molecule DOI: 10.1007/BF02394589(Journal) (6583270-N) DOI: 10.1007/PL00020131(Journal) ========================================================== Created: 2022-09-12 05:27:55 ConfID: 6583271 CauseID: 1541375768 OtherID: 247828976 JT: Theoretica Chimica Acta MD: Ahlrichs,35,1,59,1974,The influence of electron correlation on reaction energies. The dimerization energies of BH3 and LiH DOI: 10.1007/BF02394558(Journal) (6583271-N) DOI: 10.1007/PL00020554(Journal) ========================================================== Created: 2022-09-12 05:27:44 ConfID: 6583264 CauseID: 1541375727 OtherID: 247828976 JT: Theoretica Chimica Acta MD: Pletnev,35,1,93,1974,Approximated potential functions of non-bonded interactions of methyl group DOI: 10.1007/BF02394562(Journal) (6583264-N) DOI: 10.1007/PL00020558(Journal) ========================================================== Created: 2022-09-12 05:27:46 ConfID: 6583265 CauseID: 1541375739 OtherID: 247829774 JT: Theoretica Chimica Acta MD: Pullman,48,4,269,1978,Electrostatic molecular potentials in hydrogen-bonded systems DOI: 10.1007/BF02394585(Journal) (6583265-N) DOI: 10.1007/PL00020127(Journal) ========================================================== Created: 2022-09-12 05:27:47 ConfID: 6583266 CauseID: 1541375740 OtherID: 247828976 JT: Theoretica Chimica Acta MD: Antoci,35,1,89,1974,Composite wave variational method for predicting molecular electronic structure DOI: 10.1007/BF02394561(Journal) (6583266-N) DOI: 10.1007/PL00020557(Journal) ========================================================== Created: 2022-09-12 05:27:49 ConfID: 6583267 CauseID: 1541375744 OtherID: 251592915 JT: Theoretica Chimica Acta MD: Gründler,63,5,439,1983,Comment on the paper by T. P. Živković “heats of atomization of conjugated hydrocarbons by a new semiempirical method” DOI: 10.1007/BF02399171(Journal) (6583267-N) DOI: 10.1007/PL00020401(Journal) ========================================================== Created: 2022-09-12 05:27:56 ConfID: 6583276 CauseID: 1541375775 OtherID: 251592692 JT: Theoretica Chimica Acta MD: Spanget-Larsen,51,1,65,1979,Structure and solvation of nitrobenzene and 1,4-dinitrobenzene radical anions DOI: 10.1007/BF02399131(Journal) (6583276-N) DOI: 10.1007/PL00020750(Journal) ========================================================== Created: 2022-09-12 05:28:04 ConfID: 6583277 CauseID: 1541375788 OtherID: 247831107 JT: Theoretica Chimica Acta MD: Gopinathan,63,6,511,1983,Valency. II. Applications to molecules with first-row atoms DOI: 10.1007/BF02394810(Journal) (6583277-N) DOI: 10.1007/PL00020125(Journal) ========================================================== Created: 2022-09-12 05:28:01 ConfID: 6583278 CauseID: 1541375790 OtherID: 255998542 JT: Theoretica Chimica Acta MD: Bernardi,58,4,245,1981,Fragment interaction analysis of structural problems in the framework ofAb initio SCF-MO computations DOI: 10.1007/BF02426902(Journal) (6583278-N) DOI: 10.1007/PL00020361(Journal) ========================================================== Created: 2022-09-12 05:28:03 ConfID: 6583279 CauseID: 1541375791 OtherID: 251591556 JT: Theoretica Chimica Acta MD: Shim,48,2,165,1978,A new interpretation of Hund's first rule DOI: 10.1007/BF02399026(Journal) (6583279-N) DOI: 10.1007/PL00020709(Journal) ========================================================== Created: 2022-09-12 05:27:55 ConfID: 6583272 CauseID: 1541375769 OtherID: 247831107 JT: Theoretica Chimica Acta MD: Jorge,63,6,529,1983,About counterintuitive orbital mixing and bond populations DOI: 10.1007/BF02394811(Journal) (6583272-N) DOI: 10.1007/PL00020126(Journal) ========================================================== Created: 2022-09-12 05:27:57 ConfID: 6583273 CauseID: 1541375778 OtherID: 247828976 JT: Theoretica Chimica Acta MD: Bicerano,35,1,81,1974,FSGO calculations of octahydrotriborate anion and tetraborane DOI: 10.1007/BF02394560(Journal) (6583273-N) DOI: 10.1007/PL00020556(Journal) ========================================================== Created: 2022-09-12 05:27:59 ConfID: 6583274 CauseID: 1541375774 OtherID: 251592692 JT: Theoretica Chimica Acta MD: Chong,51,1,55,1979,Study of the semiempirical HAM/3 MO method DOI: 10.1007/BF02399130(Journal) (6583274-N) DOI: 10.1007/PL00020749(Journal) ========================================================== Created: 2022-09-12 05:28:00 ConfID: 6583275 CauseID: 1541375784 OtherID: 247828976 JT: Theoretica Chimica Acta MD: Buenker,35,1,33,1974,Individualized configuration selection in CI calculations with subsequent energy extrapolation DOI: 10.1007/BF02394557(Journal) (6583275-N) DOI: 10.1007/PL00020553(Journal) ========================================================== Created: 2022-09-12 05:28:14 ConfID: 6583284 CauseID: 1541375821 OtherID: 251592915 JT: Theoretica Chimica Acta MD: Makhyoun,63,5,383,1983,Linear dependence ofXα eigenvalues on occupation number application to the determination of the ligand field integrals DOI: 10.1007/BF02399167(Journal) (6583284-N) DOI: 10.1007/PL00020397(Journal) ========================================================== Created: 2022-09-12 05:28:11 ConfID: 6583285 CauseID: 1541375823 OtherID: 251592915 JT: Theoretica Chimica Acta MD: Bögel,63,5,395,1983,Die elektronenstruktur der ethen-nickel π-komplexe the electronic structure of ethylene nickel π-complexes DOI: 10.1007/BF02399168(Journal) (6583285-N) DOI: 10.1007/PL00020398(Journal) ========================================================== Created: 2022-09-12 05:28:12 ConfID: 6583286 CauseID: 1541375825 OtherID: 255993700 JT: Theoretica Chimica Acta MD: Mead,54,2,165,1980,Comment on the recent controversy over the theory of chirality functions DOI: 10.1007/BF02404592(Journal) (6583286-N) DOI: 10.1007/PL00020691(Journal) ========================================================== Created: 2022-09-12 05:28:15 ConfID: 6583287 CauseID: 1541375832 OtherID: 251591556 JT: Theoretica Chimica Acta MD: Khlopin,48,2,87,1978,The Jahn-Teller effect in icosahedral molecules and complexes DOI: 10.1007/BF02399020(Journal) (6583287-N) DOI: 10.1007/PL00020703(Journal) ========================================================== Created: 2022-09-12 05:28:09 ConfID: 6583280 CauseID: 1541375802 OtherID: 247829774 JT: Theoretica Chimica Acta MD: Hartmann,48,4,367,1978,On the application of a classical perturbation theory to the theory of coupled fields DOI: 10.1007/BF02394595(Journal) (6583280-N) DOI: 10.1007/PL00020137(Journal) ========================================================== Created: 2022-09-12 05:28:05 ConfID: 6583281 CauseID: 1541375803 OtherID: 247828976 JT: Theoretica Chimica Acta MD: Bonchev,35,1,69,1974,C-H Group as proton donor by formation of a weak hydrogen bond DOI: 10.1007/BF02394559(Journal) (6583281-N) DOI: 10.1007/PL00020555(Journal) ========================================================== Created: 2022-09-12 05:28:13 ConfID: 6583282 CauseID: 1541375818 OtherID: 255998542 JT: Theoretica Chimica Acta MD: Cetina V,58,4,257,1981,Electronic band structures and electronic properties of some substituted linear polyenes DOI: 10.1007/BF02426903(Journal) (6583282-N) DOI: 10.1007/PL00020362(Journal) ========================================================== Created: 2022-09-12 05:28:14 ConfID: 6583283 CauseID: 1541375820 OtherID: 247828976 JT: Theoretica Chimica Acta MD: Linnett,35,1,97,1974,Recensiones DOI: 10.1007/BF02394563(Journal) (6583283-N) DOI: 10.1007/PL00020559(Journal) ========================================================== Created: 2022-09-12 05:28:25 ConfID: 6583293 CauseID: 1541375867 OtherID: 251592915 JT: Theoretica Chimica Acta MD: Živković,63,5,443,1983,Comment on the comment of Dr. W. Gründler on the paper “heats of atomization of conjugated hydrocarbons by a new semiempirical method” DOI: 10.1007/BF02399172(Journal) (6583293-N) DOI: 10.1007/PL00020402(Journal) ========================================================== Created: 2022-09-12 05:28:26 ConfID: 6583294 CauseID: 1541375869 OtherID: 247828976 JT: Theoretica Chimica Acta MD: Mehler,35,1,17,1974,Orbital correlation effects: The independent pair-potential approximation with application to the ground state and first ionized state of boron hydride DOI: 10.1007/BF02394556(Journal) (6583294-N) DOI: 10.1007/PL00020552(Journal) ========================================================== Created: 2022-09-12 05:28:28 ConfID: 6583295 CauseID: 1541375870 OtherID: 247829774 JT: Theoretica Chimica Acta MD: Mehrotra,48,4,301,1978,Tempered orbital energies in SCF MO calculations and their relation to the ordinate in Mulliken-Walsh correlation diagrams and extended Hückel orbital energies DOI: 10.1007/BF02394588(Journal) (6583295-N) DOI: 10.1007/PL00020130(Journal) ========================================================== Created: 2022-09-12 05:28:16 ConfID: 6583288 CauseID: 1541375834 OtherID: 247829774 JT: Theoretica Chimica Acta MD: Gutman,48,4,279,1978,On the calculation of the acyclic polynomial DOI: 10.1007/BF02394586(Journal) (6583288-N) DOI: 10.1007/PL00020128(Journal) ========================================================== Created: 2022-09-12 05:28:17 ConfID: 6583289 CauseID: 1541375835 OtherID: 255993700 JT: Theoretica Chimica Acta MD: Römelt,54,2,171,1980,Franck-Condon matrix elements for bound-continuum vibrational transitions calculated by numerical integration and basis set expansion techniques DOI: 10.1007/BF02404594(Journal) (6583289-N) DOI: 10.1007/PL00020693(Journal) ========================================================== Created: 2022-09-12 05:28:18 ConfID: 6583290 CauseID: 1541375836 OtherID: 251592915 JT: Theoretica Chimica Acta MD: Sandorfy,63,5,445,1983,Book reviews DOI: 10.1007/BF02399173(Journal) (6583290-N) DOI: 10.1007/PL00020403(Journal) ========================================================== Created: 2022-09-12 05:28:19 ConfID: 6583291 CauseID: 1541375838 OtherID: 247830815 JT: Theoretica Chimica Acta MD: Toyota,61,6,505,1982,The electronic structure of the heptafulvalene trianion radical—The doublet instability of the Hartree-Fock solution and related phenomena DOI: 10.1007/BF02394730(Journal) (6583291-N) DOI: 10.1007/PL00020138(Journal) ========================================================== Created: 2022-09-12 05:27:32 ConfID: 6583255 CauseID: 1541375689 OtherID: 251591556 JT: Theoretica Chimica Acta MD: Kakitani,48,2,155,1978,An empirical relation between oscillator strengths calculated from the dipole length and dipole velocity formalisms in the optical absorption of conjugated molecules DOI: 10.1007/BF02399025(Journal) (6583255-N) DOI: 10.1007/PL00020708(Journal) ========================================================== Created: 2022-09-12 05:27:39 ConfID: 6583260 CauseID: 1541375711 OtherID: 247830815 JT: Theoretica Chimica Acta MD: Lievin,61,6,513,1982,A simplified method for molecular correlation energy calculations by separation into internal and non-internal parts. Application to multiconfigurational zeroth-order wavefunctions DOI: 10.1007/BF02394731(Journal) (6583260-N) DOI: 10.1007/PL00020139(Journal) ========================================================== Created: 2022-09-12 05:27:40 ConfID: 6583261 CauseID: 1541375717 OtherID: 255998542 JT: Theoretica Chimica Acta MD: Mezey,58,4,309,1981,Catchment region partitioning of energy hypersurfaces, I DOI: 10.1007/BF02426907(Journal) (6583261-N) DOI: 10.1007/PL00020366(Journal) ========================================================== Created: 2022-09-12 05:27:43 ConfID: 6583262 CauseID: 1541375724 OtherID: 255998542 JT: Theoretica Chimica Acta MD: Tachibana,58,4,301,1981,Extended hessian matrix along the reaction coordinate DOI: 10.1007/BF02426906(Journal) (6583262-N) DOI: 10.1007/PL00020365(Journal) ========================================================== Created: 2022-09-12 05:27:43 ConfID: 6583263 CauseID: 1541375723 OtherID: 256003449 JT: Theoretica Chimica Acta MD: Constanciel,65,1,1,1984,Self consistent field theory of solvent effects representation by continuum models: Introduction of desolvation contribution DOI: 10.1007/BF02427575(Journal) (6583263-N) DOI: 10.1007/PL00020119(Journal) ========================================================== Created: 2022-09-12 05:27:32 ConfID: 6583256 CauseID: 1541375690 OtherID: 251592692 JT: Theoretica Chimica Acta MD: Balasubramanian,51,1,37,1979,A generalized wreath product method for the enumeration of stereo and position isomers of polysubstituted organic compounds DOI: 10.1007/BF02399129(Journal) (6583256-N) DOI: 10.1007/PL00020748(Journal) ========================================================== Created: 2022-09-12 05:27:34 ConfID: 6583257 CauseID: 1541375693 OtherID: 247828976 JT: Theoretica Chimica Acta MD: Morsy,35,1,1,1974,Consequences of resonance tunnelling in chemical kinetics DOI: 10.1007/BF02394555(Journal) (6583257-N) DOI: 10.1007/PL00020551(Journal) ========================================================== Created: 2022-09-12 05:27:34 ConfID: 6583258 CauseID: 1541375695 OtherID: 247829774 JT: Theoretica Chimica Acta MD: Bills,48,4,361,1978,Symmetry coordinates and group orbitals from basis functions DOI: 10.1007/BF02394594(Journal) (6583258-N) DOI: 10.1007/PL00020136(Journal) ========================================================== Created: 2022-09-12 05:27:38 ConfID: 6583259 CauseID: 1541375707 OtherID: 255998542 JT: Theoretica Chimica Acta MD: Riess,58,4,295,1981,The theorem of hohenberg and kohn for subdomains of a quantum system DOI: 10.1007/BF02426905(Journal) (6583259-N) DOI: 10.1007/PL00020364(Journal) ========================================================== Created: 2022-09-12 05:28:34 ConfID: 6583300 CauseID: 1541375889 OtherID: 255993700 JT: Theoretica Chimica Acta MD: Zhixing,54,2,169,1980,A further study on the CNDO/2 structures of water dimer DOI: 10.1007/BF02404593(Journal) (6583300-N) DOI: 10.1007/PL00020692(Journal) ========================================================== Created: 2022-09-12 05:28:27 ConfID: 6583296 CauseID: 1541375875 OtherID: 247828976 JT: Theoretica Chimica Acta MD: Jug,35,1,98,1974,Recensiones DOI: 10.1007/BF02394564(Journal) (6583296-N) DOI: 10.1007/PL00020560(Journal) ========================================================== Created: 2022-09-12 05:28:31 ConfID: 6583297 CauseID: 1541375882 OtherID: 247829774 JT: Theoretica Chimica Acta MD: Thiel,48,4,357,1978,The most stable CNDO/2 water dimer DOI: 10.1007/BF02394593(Journal) (6583297-N) DOI: 10.1007/PL00020135(Journal) ========================================================== Created: 2022-09-12 05:28:30 ConfID: 6583298 CauseID: 1541375885 OtherID: 251592692 JT: Theoretica Chimica Acta MD: Alagona,51,1,11,1979,A theoreticalab initio study of the reaction of formation of 2-fluoroethanol from oxirane and HF DOI: 10.1007/BF02399128(Journal) (6583298-N) DOI: 10.1007/PL00020747(Journal) ========================================================== Created: 2022-09-12 05:28:32 ConfID: 6583299 CauseID: 1541375887 OtherID: 251592915 JT: Theoretica Chimica Acta MD: Mineyev,63,5,421,1983,π-d-Interaction and the temperature dependent magnetic circular dichroism spectra of low spin Fe(III)-heme compounds DOI: 10.1007/BF02399170(Journal) (6583299-N) DOI: 10.1007/PL00020400(Journal) ========================================================== Created: 2022-09-12 05:28:00 ConfID: 4543750 CauseID: 1541375785 JT: Theoretica Chimica Acta MD: Biskupič,54,1,15,1979,On the use of UHF orbitals in ionization energy calculations DOI: 10.1007/PL00020719(Journal) (4543750-N) ========================================================== Created: 2009-01-03 13:20:13 ConfID: 4543877 CauseID: 708595019 OtherID: 6217 JT: Theoretica Chimica Acta MD: Caputo,94,3,155,1996,Theoretical study of magnetic properties of ammonia molecule in nonuniform magnetic field DOI: 10.1007/s002140050170(Journal) (4543877-N) DOI: 10.1007/BF00191646(Journal) ========================================================== Created: 2009-01-03 13:20:02 ConfID: 4691934 CauseID: 708594948 OtherID: 6217 JT: Theoretica Chimica Acta MD: Thorsteinsson,94,4,233,1996,Exact transformations of CI spaces, VB representations of CASSCF wavefunctions and the optimization of VB wavefunctions DOI: 10.1007/s002140050178(Journal) (4691934-N) DOI: 10.1007/BF00186445(Journal) ========================================================== Created: 2005-07-14 00:22:05 ConfID: 4897411 CauseID: 195689697 OtherID: 6217,708594986 JT: Theoretica Chimica Acta MD: Blado,94,1,53,1996,Supersymmetry and the Hartmann potential of theoretical chemistry DOI: 10.1007/s002140050163(Journal) (4897411-N) DOI: 10.1007/BF00190155(Journal) ========================================================== Created: 2009-01-03 13:20:13 ConfID: 4586888 CauseID: 708595018 OtherID: 6217 JT: Theoretica Chimica Acta MD: Fujita,94,2,105,1996,Pseudo-point groups and chronality in enumeration of reaction pairs DOI: 10.1007/s002140050167(Journal) (4586888-N) DOI: 10.1007/BF00194935(Journal) ========================================================== Created: 2009-01-03 13:20:08 ConfID: 4586942 CauseID: 708594985 OtherID: 6217 JT: Theoretica Chimica Acta MD: Botrel,94,1,23,1996,Theoretical and experimental studies of electronic effects and second-order nonlinear optical properties of some benzenecarbothioates and benzenecarbodithioates DOI: 10.1007/s002140050161(Journal) (4586942-N) DOI: 10.1007/BF00190153(Journal)