Report date: Apr 30, 2024
Conflict count: 350192
Publisher: Springer-Verlag
Title count: 282
Conflict count: 4417


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Created: 2022-09-12 05:28:00.0
ConfID: 4543750
CauseID: 1541375785
OtherID: 708595319, 1541375785
JT: Theoretica Chimica Acta
MD: Biskupič, 54 ,1,15,1979,On the use of UHF orbitals in ionization energy calculations
DOI: 10.1007/BF00938769(Journal) (4543750-N )
DOI: 10.1007/PL00020719(Journal)
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Created: 2009-01-03 13:20:13.0
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)
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Created: 2022-09-12 05:27:49.0
ConfID: 4573074
CauseID: 1541375745
OtherID: 708595283, 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/BF00938768(Journal) (4573074-N )
DOI: 10.1007/PL00020718(Journal)
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Created: 2009-01-03 13:20:13.0
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)
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Created: 2009-01-03 13:20:08.0
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)
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Created: 2005-07-14 00:18:26.0
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)
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Created: 2005-07-14 00:18:26.0
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)
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Created: 2005-07-14 00:18:26.0
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 05:28:24.0
ConfID: 4637467
CauseID: 1541375853
OtherID: 708595282, 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/BF00938695(Journal) (4637467-N )
DOI: 10.1007/PL00020721(Journal)
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Created: 2005-07-14 00:14:55.0
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)
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Created: 2009-01-03 13:20:02.0
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: 2022-09-12 05:28:22.0
ConfID: 4876473
CauseID: 1541375861
OtherID: 140133594, 708595696, 1541375861
JT: Theoretica Chimica Acta
MD: Molino, 60 ,3,299,1981,A comment on SCF energy partitioning schemes
DOI: 10.1007/BF00553750(Journal) (4876473-N )
DOI: 10.1007/PL00020467(Journal)
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Created: 2005-07-14 00:22:05.0
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)
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Created: 2022-09-12 05:27:32.0
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)
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Created: 2022-09-12 05:27:32.0
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)
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Created: 2022-09-12 05:27:34.0
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)
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Created: 2022-09-12 05:27:34.0
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)
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Created: 2022-09-12 05:27:38.0
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)
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Created: 2022-09-12 05:27:39.0
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)
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Created: 2022-09-12 05:27:40.0
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)
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Created: 2022-09-12 05:27:43.0
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)
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Created: 2022-09-12 05:27:43.0
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)
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Created: 2022-09-12 05:27:44.0
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)
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Created: 2022-09-12 05:27:46.0
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)
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Created: 2022-09-12 05:27:47.0
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 05:27:49.0
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 05:27:53.0
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)
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Created: 2022-09-12 05:27:54.0
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)
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Created: 2022-09-12 05:27:51.0
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)
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Created: 2022-09-12 05:27:55.0
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)
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Created: 2022-09-12 05:27:55.0
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)
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Created: 2022-09-12 05:27:57.0
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)
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Created: 2022-09-12 05:27:59.0
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)
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Created: 2022-09-12 05:28:00.0
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 05:27:56.0
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 05:28:04.0
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)
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Created: 2022-09-12 05:28:01.0
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 05:28:03.0
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 05:28:09.0
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 05:28:05.0
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 05:28:13.0
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 05:28:14.0
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 05:28:14.0
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 05:28:11.0
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 05:28:12.0
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 05:28:15.0
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 05:28:16.0
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 05:28:17.0
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 05:28:18.0
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 05:28:19.0
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 05:28:25.0
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 05:28:26.0
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 05:28:28.0
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 05:28:27.0
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 05:28:31.0
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 05:28:30.0
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 05:28:32.0
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 05:28:34.0
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)