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@article{DBLP:journals/candc/AbramsonG78, author = {Mark J. Abramson and J. H. Goldstein}, title = {Design and implementation of an economical instrument-computer interface based on the {SDK-60} microcomputer}, journal = {Comput. Chem.}, volume = {2}, number = {3-4}, pages = {139--142}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)85006-2}, doi = {10.1016/0097-8485(78)85006-2}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/AbramsonG78.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/AgarwalLG78, author = {Krishna K. Agarwal and David L. Larsen and Herbert L. Gelernter}, title = {Application of chemical transforms in {EYNCHEMZ:} a computer program for organic synthesis route discovery}, journal = {Comput. Chem.}, volume = {2}, number = {2}, pages = {75--84}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)87005-3}, doi = {10.1016/0097-8485(78)87005-3}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/AgarwalLG78.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/AlmlofRS78, author = {Jan Alml{\"{o}}f and Bj{\"{o}}rn Roos and Per E. M. Siegbahn}, title = {An {MC-SCF} computation scheme for large scale calculations on polyatomic systems}, journal = {Comput. Chem.}, volume = {2}, number = {2}, pages = {89--94}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)87007-7}, doi = {10.1016/0097-8485(78)87007-7}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/AlmlofRS78.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/Bersohn78, author = {Malcolm Bersohn}, title = {A sum algorithm for numbering the atoms of molecules}, journal = {Comput. Chem.}, volume = {2}, number = {3-4}, pages = {113--116}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)85002-5}, doi = {10.1016/0097-8485(78)85002-5}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/Bersohn78.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/BersohnEL78, author = {Malcolm Bersohn and Ashmed Esack and Joseph Luchini}, title = {Some early developments in programming synthetic strategies}, journal = {Comput. Chem.}, volume = {2}, number = {3-4}, pages = {105--112}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)85001-3}, doi = {10.1016/0097-8485(78)85001-3}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/BersohnEL78.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/BianchiPS78, author = {Riccardo Bianchi and Tullio Pliati and Massimo Simonetta}, title = {Crystal structure refinement with constraints}, journal = {Comput. Chem.}, volume = {2}, number = {2}, pages = {49--52}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)87001-6}, doi = {10.1016/0097-8485(78)87001-6}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/BianchiPS78.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/David78, author = {Carl W. David}, title = {Constrained variation of molecular geometry using {FORMAC}}, journal = {Comput. Chem.}, volume = {2}, number = {2}, pages = {65--70}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)87003-X}, doi = {10.1016/0097-8485(78)87003-X}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/David78.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/DeTar78, author = {DeLos F. DeTar}, title = {Calculator routine for 3 x 3 symmetrical matrix}, journal = {Comput. Chem.}, volume = {2}, number = {1}, pages = {35--36}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)80008-4}, doi = {10.1016/0097-8485(78)80008-4}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/DeTar78.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/DeTar78a, author = {DeLos F. DeTar}, title = {Calculator least squares evaluation of k for the first order rate equation}, journal = {Comput. Chem.}, volume = {2}, number = {1}, pages = {37--38}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)80009-6}, doi = {10.1016/0097-8485(78)80009-6}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/DeTar78a.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/DeTar78b, author = {DeLos F. DeTar}, title = {Algorithms for Chemical Computations, edited by Ralph E. Chriatoffersen}, journal = {Comput. Chem.}, volume = {2}, number = {1}, pages = {43--47}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)80011-4}, doi = {10.1016/0097-8485(78)80011-4}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/DeTar78b.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/DeTar78c, author = {DeLos F. DeTar}, title = {Chemometrics: Theory and Application, edited by B. R. Kowalsk}, journal = {Comput. Chem.}, volume = {2}, number = {1}, pages = {47--49}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)80012-6}, doi = {10.1016/0097-8485(78)80012-6}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/DeTar78c.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/DeTar78d, author = {DeLos F. DeTar}, title = {Calculator least squares evaluation of k, y\({}_{\mbox{0}}\) and y for the first order rate equation}, journal = {Comput. Chem.}, volume = {2}, number = {2}, pages = {99--104}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)87009-0}, doi = {10.1016/0097-8485(78)87009-0}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/DeTar78d.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/DeTar78e, author = {DeLos F. DeTar}, title = {Least squares treatment of the Arrhenius equation by a programmable calculator}, journal = {Comput. Chem.}, volume = {2}, number = {3-4}, pages = {143--148}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)85007-4}, doi = {10.1016/0097-8485(78)85007-4}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/DeTar78e.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/DeTar78f, author = {DeLos F. DeTar}, title = {Calculator algorithms {(AESHK)} for interconverting Arrhenius {A} and {E} to DeltaH and DeltaS and for calculating interpolated rate constants}, journal = {Comput. Chem.}, volume = {2}, number = {3-4}, pages = {149--152}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)85008-6}, doi = {10.1016/0097-8485(78)85008-6}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/DeTar78f.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/DeTer78, author = {DeLos F. DeTar}, title = {Calculator least squares evaluation of k for the second order rate equation}, journal = {Comput. Chem.}, volume = {2}, number = {1}, pages = {39--42}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)80010-2}, doi = {10.1016/0097-8485(78)80010-2}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/DeTer78.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/Debosh78, author = {Paul A. Debosh}, title = {Rejoinder}, journal = {Comput. Chem.}, volume = {2}, number = {3-4}, pages = {153}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)85010-4}, doi = {10.1016/0097-8485(78)85010-4}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/Debosh78.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/DewarW78, author = {Michael J. S. Dewar and Paul K. Weiner}, title = {A simplified extrapolation procedure for {SCF} calculations}, journal = {Comput. Chem.}, volume = {2}, number = {1}, pages = {31--34}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)80006-0}, doi = {10.1016/0097-8485(78)80006-0}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/DewarW78.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/DewarY78, author = {Michael J. S. Dewar and Yuklo Yamaguchi}, title = {Analytical first derivatives if the energy in {MNDO}}, journal = {Comput. Chem.}, volume = {2}, number = {1}, pages = {25--30}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)80005-9}, doi = {10.1016/0097-8485(78)80005-9}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/DewarY78.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/EdelsonS78, author = {David Edelson and Norman L. Schryer}, title = {Modeling chemically reacting flow system-l. {A} cornparison of finite difference and finite element methods for one-dimensional reactive diffusion}, journal = {Comput. Chem.}, volume = {2}, number = {2}, pages = {71--74}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)87004-1}, doi = {10.1016/0097-8485(78)87004-1}, timestamp = {Fri, 01 Sep 2023 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/EdelsonS78.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/Gasteiger78, author = {Johann Gasteiger}, title = {An algorithm for estimating heats of reaction}, journal = {Comput. Chem.}, volume = {2}, number = {2}, pages = {85--88}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)87006-5}, doi = {10.1016/0097-8485(78)87006-5}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/Gasteiger78.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/KirbyM78, author = {G. H. Kirby and C. H. Morgan}, title = {Chemical formulae for computer input and output}, journal = {Comput. Chem.}, volume = {2}, number = {2}, pages = {95--98}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)87008-9}, doi = {10.1016/0097-8485(78)87008-9}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/KirbyM78.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/KlingerCA78, author = {J. Klinger and B. E. Conway and H. Angerstein{-}Kozlowska}, title = {Procedures for computer simulation of kinetics of eletrochemical surface processes}, journal = {Comput. Chem.}, volume = {2}, number = {3-4}, pages = {117--130}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)85003-7}, doi = {10.1016/0097-8485(78)85003-7}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/KlingerCA78.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/Lunney78, author = {David Lunney}, title = {Using the least squares capability of a hand calculator and graphical aids tofit polynomiafs to curves or data}, journal = {Comput. Chem.}, volume = {2}, number = {3-4}, pages = {133--137}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)85005-0}, doi = {10.1016/0097-8485(78)85005-0}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/Lunney78.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/Maine78, author = {Paul A. D. de Maine}, title = {Automatic curve-fitting-l. Test methods}, journal = {Comput. Chem.}, volume = {2}, number = {1}, pages = {1--6}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)80001-1}, doi = {10.1016/0097-8485(78)80001-1}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/Maine78.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/Maine78a, author = {Paul A. D. de Maine}, title = {Empirical relationships for random self-avoiding walks on lattices}, journal = {Comput. Chem.}, volume = {2}, number = {2}, pages = {53--64}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)87002-8}, doi = {10.1016/0097-8485(78)87002-8}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/Maine78a.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/MaineSM78, author = {Paul A. D. de Maine and G. K. Springer and R. A. Mikelskas}, title = {Automatic curve-fitting-ll. Linear equations}, journal = {Comput. Chem.}, volume = {2}, number = {1}, pages = {7--14}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)80002-3}, doi = {10.1016/0097-8485(78)80002-3}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/MaineSM78.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/Nash78, author = {J. C. Nash}, title = {Comments on "EIGNl {M:} a matrix diagonalization su broutine with minimal storage requirements"}, journal = {Comput. Chem.}, volume = {2}, number = {3-4}, pages = {153}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)85009-8}, doi = {10.1016/0097-8485(78)85009-8}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/Nash78.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/Norbeck78, author = {J. M. Norbeck}, title = {On updating the inverse of the Jacobian matrix}, journal = {Comput. Chem.}, volume = {2}, number = {3-4}, pages = {131--132}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)85004-9}, doi = {10.1016/0097-8485(78)85004-9}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/Norbeck78.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/RouzoRS78, author = {H. Le Rouzo and G. Rasseev and B. Silvi}, title = {An efficient method for the transformation of two electron integrals}, journal = {Comput. Chem.}, volume = {2}, number = {1}, pages = {15--18}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)80003-5}, doi = {10.1016/0097-8485(78)80003-5}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/RouzoRS78.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/candc/SchaumburgW78, author = {Kjeld Schaumburg and Jerzy Wasniewski}, title = {Use of a semiexplicit Runge-Kutta integration algorithm in a spectroscopic problem}, journal = {Comput. Chem.}, volume = {2}, number = {1}, pages = {19--24}, year = {1978}, url = {https://doi.org/10.1016/0097-8485(78)80004-7}, doi = {10.1016/0097-8485(78)80004-7}, timestamp = {Mon, 18 May 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/candc/SchaumburgW78.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
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