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@article{DBLP:journals/candc/AndzelmDESH95,
author = {Jan W. Andzelm and
T. Nguyen Dzung and
Rolf Eggenberger and
Dennis R. Salahub and
Arnold T. Hagler},
title = {Applications of the Adiabatic Connection Method to Conformational
Equilibria and Reactions Involving Formic Acid},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {145--154},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00020-S},
doi = {10.1016/0097-8485(95)00020-S},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/AndzelmDESH95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/ArendtH95,
author = {Cornelius Arendt and
Gerhard H{\"{a}}gele},
title = {The Photo{\_}T-concept: Hard- and Software Combination for the Determination
of Macroscopic and Microscopic Dissociation Constants},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {263--268},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00036-R},
doi = {10.1016/0097-8485(95)00036-R},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/ArendtH95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Armada95,
author = {M. Pilar Garc{\'{\i}}a Armada},
title = {A Program for Calculation and Graphic Representation of Conditional
Constants - I. Complex Formation Constants},
journal = {Comput. Chem.},
volume = {19},
number = {2},
pages = {137--139},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00009-H},
doi = {10.1016/0097-8485(95)00009-H},
timestamp = {Mon, 26 Oct 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/candc/Armada95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/BalaGLM95,
author = {Piotr Bala and
Palo Grochowski and
Bogdan Lesyng and
James Andrew McCammon},
title = {Quantum-classical Molecular Dynamics and Its Computer Implementation},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {155--160},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(94)00051-F},
doi = {10.1016/0097-8485(94)00051-F},
timestamp = {Tue, 21 Mar 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/candc/BalaGLM95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/BalakrishnarajanV95,
author = {Musiri M. Balakrishnarajan and
Ponnambalam Venuvanalingam},
title = {A Fast Graph Traversal Algorithm for the Computer Enumeration of {P-V}
Paths of Benzenoid Graphs},
journal = {Comput. Chem.},
volume = {19},
number = {2},
pages = {101--105},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(94)00056-K},
doi = {10.1016/0097-8485(94)00056-K},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/BalakrishnarajanV95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/BardsleyBFCM95,
author = {William G. Bardsley and
N. A. J. Bukhari and
Mark W. J. Ferguson and
Jose Antonio Cachaza and
Francisco Javier Burguillo Mu{\~{n}}oz},
title = {Evaluation of Model Discrimination, Parameter Estimation and Goodness
of Fit in Nonlinear Regression Problems By Test Statistics Distributions},
journal = {Comput. Chem.},
volume = {19},
number = {2},
pages = {75--84},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00007-F},
doi = {10.1016/0097-8485(95)00007-F},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/BardsleyBFCM95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Bhattacharjee95,
author = {S. Bhattacharjee},
title = {Geometric Volume and New Refrigerants--II. Haloethanes},
journal = {Comput. Chem.},
volume = {19},
number = {1},
pages = {51--58},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(94)00041-C},
doi = {10.1016/0097-8485(94)00041-C},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Bhattacharjee95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/BieniaszOB95,
author = {Leslaw K. Bieniasz and
Ole {\O}sterby and
Dieter Britz},
title = {Numerical Stability of Finite Difference Algorithms for Electrochemical
Kinetic Simulations: Matrix Stability Analysis of the Classic Explicit,
Fully Implicit and Crank-Nicolson Methods and Typical Problems Involving
Mixed Boundary Conditions},
journal = {Comput. Chem.},
volume = {19},
number = {2},
pages = {121--135},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(94)00054-I},
doi = {10.1016/0097-8485(94)00054-I},
timestamp = {Mon, 26 Oct 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/candc/BieniaszOB95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/BieniaszOB95a,
author = {Leslaw K. Bieniasz and
Ole {\O}sterby and
Dieter Britz},
title = {Numerical Stability of Finite Difference Algorithms for Electrochemical
Kinetic Simulations. Matrix Stability Analysis of the Classic Explicit,
Fully Implicit and Crank-Nicolson Methods, Extended to the 3- and
4-point Gradient Approximation at the Electrodes},
journal = {Comput. Chem.},
volume = {19},
number = {4},
pages = {351--355},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00056-X},
doi = {10.1016/0097-8485(95)00056-X},
timestamp = {Mon, 26 Oct 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/candc/BieniaszOB95a.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/BieniaszOB95b,
author = {Leslaw K. Bieniasz and
Ole {\O}sterby and
Dieter Britz},
title = {Numerical Stability of the Saul'yev Finite Difference Algorithms for
Electrochemical Kinetic Simulations: Matrix Stability Analysis for
an Example Problem Involving Mixed Boundary Conditions},
journal = {Comput. Chem.},
volume = {19},
number = {4},
pages = {357--370},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00047-V},
doi = {10.1016/0097-8485(95)00047-V},
timestamp = {Mon, 26 Oct 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/candc/BieniaszOB95b.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Blurock95,
author = {Edward S. Blurock},
title = {Automatic Learning of Chemical Concepts: Research Octane Number and
Molecular Substructures},
journal = {Comput. Chem.},
volume = {19},
number = {2},
pages = {91--99},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00001-9},
doi = {10.1016/0097-8485(95)00001-9},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Blurock95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/BrenemanTRD95,
author = {Curt M. Breneman and
Tracy R. Thompson and
Marlon Rhem and
Mei Dung},
title = {Electron Density Modeling of Large Systems Using the Transferable
Atom Equivalent Method},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {161--179},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(94)00052-G},
doi = {10.1016/0097-8485(94)00052-G},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/BrenemanTRD95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/BrunvollCBC95,
author = {Jon Brunvoll and
Bj{\o}rg N. Cyvin and
Egil Brendsdal and
Sven J. Cyvin},
title = {Computerized Enumeration of Staggered Alkane Conformers},
journal = {Comput. Chem.},
volume = {19},
number = {4},
pages = {379--388},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00030-V},
doi = {10.1016/0097-8485(95)00030-V},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/BrunvollCBC95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Campanario95,
author = {Juan Miguel Campanario},
title = {Automatic 'balancing' of Chemical Equations},
journal = {Comput. Chem.},
volume = {19},
number = {2},
pages = {85--90},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00008-G},
doi = {10.1016/0097-8485(95)00008-G},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Campanario95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/ChojnackiADS95,
author = {Henryk Chojnacki and
Jan W. Andzelm and
T. Nguyen Dzung and
W. Andrzej Sokalski},
title = {Preliminary Density Functional Calculations on the Formic Acid Dimer},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {181--187},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(94)00053-H},
doi = {10.1016/0097-8485(94)00053-H},
timestamp = {Thu, 14 Oct 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/ChojnackiADS95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/CrabbeG95,
author = {M. James C. Crabbe and
Derek Goode},
title = {Protein Folds and Functional Similarity; the Greek Key/immunoglobulin
Fold},
journal = {Comput. Chem.},
volume = {19},
number = {4},
pages = {343--349},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00028-Q},
doi = {10.1016/0097-8485(95)00028-Q},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/CrabbeG95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Crane95,
author = {Jonathan D. Crane},
title = {The Factorization of Buckminsterfullerene into Cyclocarbon Components},
journal = {Comput. Chem.},
volume = {19},
number = {1},
pages = {1--9},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(94)00050-O},
doi = {10.1016/0097-8485(94)00050-O},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Crane95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Debska95,
author = {Barbara J. Debska},
title = {Scannet - {A} Spectroscopic Multimethod System for Computer-assisted
Structural Identification},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {269--275},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00050-3},
doi = {10.1016/0097-8485(95)00050-3},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Debska95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/FuhlerLH95,
author = {Rainer Fuhler and
Thomas Lenzen and
Gerhard H{\"{a}}gele},
title = {SpinA-AT and DNMR-SIM--two New PC-programs for Analysis and Simulation
of {NMR} Spectra},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {277--282},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00039-U},
doi = {10.1016/0097-8485(95)00039-U},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/FuhlerLH95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/GoodeC95,
author = {Derek Goode and
M. James C. Crabbe},
title = {Modelling Molecular Stability in Gamma {B} Crystallin},
journal = {Comput. Chem.},
volume = {19},
number = {2},
pages = {65--74},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00027-P},
doi = {10.1016/0097-8485(95)00027-P},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/GoodeC95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/HageleFHLSW95,
author = {Gerhard H{\"{a}}gele and
Rainer Fuhler and
Hans Wolfgang H{\"{o}}ffken and
Thomas Lenzen and
Robert Spiske and
Ursula Weber},
title = {Novel PC-program-systems for Efficient Analysis; Simulation and Iteration
of High-resolution 1-D {NMR} Spectra},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {283--285},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00040-Y},
doi = {10.1016/0097-8485(95)00040-Y},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/HageleFHLSW95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/HansenZ95,
author = {Pierre Hansen and
Maolin Zheng},
title = {Assigning a Kekul{\'{e}} Structure to a Conjugated Molecule},
journal = {Comput. Chem.},
volume = {19},
number = {1},
pages = {21--25},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(94)00035-D},
doi = {10.1016/0097-8485(94)00035-D},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/HansenZ95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/HuskensBP95,
author = {Jurriaan Huskens and
Herman Van Bekkum and
Joop A. Peters},
title = {A Convenient Spreadsheet Approach to the Calculation of Stability
Constants and the Simulation of Kinetics},
journal = {Comput. Chem.},
volume = {19},
number = {4},
pages = {409--415},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00042-Q},
doi = {10.1016/0097-8485(95)00042-Q},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/HuskensBP95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/IsoardiBB95,
author = {Esteban P. Isoardi and
Dora A. Barbiric and
Gustavo Daniel Barrera},
title = {Quasiharmonic Lattice Dynamics of Body Centred Cubic Metals},
journal = {Comput. Chem.},
volume = {19},
number = {2},
pages = {113--120},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(94)00049-K},
doi = {10.1016/0097-8485(94)00049-K},
timestamp = {Thu, 24 Mar 2022 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/candc/IsoardiBB95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/JaworskiD95,
author = {Andrew P. Jaworski and
A. Deg{\'{o}}rski},
title = {A Theoretical Study of the Photoinduced Intramolecular Proton Transfer
in 2-(2'-hydroxyphenyl)-imidazoline},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {189--197},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00034-P},
doi = {10.1016/0097-8485(95)00034-P},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/JaworskiD95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Krauss95,
author = {Morris Krauss},
title = {Effective Fragment Potentials and Spectroscopy at Enzyme Active Sites},
journal = {Comput. Chem.},
volume = {19},
number = {1},
pages = {33--38},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(94)00046-H},
doi = {10.1016/0097-8485(94)00046-H},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Krauss95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Krauss95a,
author = {Morris Krauss},
title = {Effective Fragment Potentials and Spectroscopy at Enzyme Active Sites},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {199--204},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)93588-R},
doi = {10.1016/0097-8485(95)93588-R},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Krauss95a.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/KuchtaE95,
author = {Bogdan Kuchta and
Richard D. Etters},
title = {Free Energy Computer Simulation in Solid State Chemistry},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {205--208},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00017-M},
doi = {10.1016/0097-8485(95)00017-M},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/KuchtaE95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/LinertRKL95,
author = {Wolfgang Linert and
Franz Renz and
Klaus Kleestorfer and
Istv{\'{a}}n Lukovits},
title = {An Algorithm for the Computation of the Hyper-wiener Index for the
Characterization and Discrimination of Branched Acyclic Molecules},
journal = {Comput. Chem.},
volume = {19},
number = {4},
pages = {395--401},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00048-W},
doi = {10.1016/0097-8485(95)00048-W},
timestamp = {Sun, 22 Oct 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/LinertRKL95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/LowreyCUF95,
author = {Alfred H. Lowrey and
Christopher J. Cramer and
Joseph J. Urban and
George R. Famini},
title = {Quantum Chemical Descriptors for Linear Solvation Energy Relationships},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {209--215},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(94)00058-M},
doi = {10.1016/0097-8485(94)00058-M},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/LowreyCUF95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Lukovits95,
author = {Istv{\'{a}}n Lukovits},
title = {A Note on a Formula for the Hyper-Wiener Index of Some Trees},
journal = {Comput. Chem.},
volume = {19},
number = {1},
pages = {27--31},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(94)00045-G},
doi = {10.1016/0097-8485(94)00045-G},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Lukovits95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Marczewski95,
author = {Adam W. Marczewski},
title = {Computer Driven Apparatus for Adsorption Measurements},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {295--298},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00041-P},
doi = {10.1016/0097-8485(95)00041-P},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Marczewski95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/MroczykM95,
author = {Wiestawa B. Mroczyk and
Krzysztof M. Michalski},
title = {Quantitative and Qualitative Analyses in Near Infrared Analysis of
Basic Compounds in Sugar Beet Leaf},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {299--301},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00012-H},
doi = {10.1016/0097-8485(95)00012-H},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/MroczykM95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/MussoB95,
author = {Jean Musso and
Yoshitaka Beppu},
title = {NAMOD{\_}CRYST: Version for Crystallography from {NAMOD} Computer
Program for Drawing Ball-and-stick Molecular Models},
journal = {Comput. Chem.},
volume = {19},
number = {2},
pages = {141--142},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00002-A},
doi = {10.1016/0097-8485(95)00002-A},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/MussoB95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/NalewajskiK95,
author = {Roman F. Nalewajski and
Jacek Korchowiec},
title = {Use of Charge Sensitivity Analysis in Testing Adequacy of Cluster
Representations of Catalytic Active Sites},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {217--230},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(94)00047-I},
doi = {10.1016/0097-8485(94)00047-I},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/NalewajskiK95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/NinoM95,
author = {Alfonso Ni{\~{n}}o and
Camelia Mu{\~{n}}oz{-}Caro},
title = {Recursive Computation of Hamiltonian Matrix Elements Using Harmonic
Oscillator Eigenfunctions: Application to the Inversion of Ammonia
and to the Methyl Torsion + Aldehydic Hydrogen Wagging of Acetaldehyde},
journal = {Comput. Chem.},
volume = {19},
number = {4},
pages = {371--378},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00035-Q},
doi = {10.1016/0097-8485(95)00035-Q},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/NinoM95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/OlligH95,
author = {J. Ollig and
Gerhard H{\"{a}}gele},
title = {NMR-controlled Titrations of Phosphorus Containing Acids and Bases},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {287--294},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00037-S},
doi = {10.1016/0097-8485(95)00037-S},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/OlligH95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Paneth95,
author = {Piotr Paneth},
title = {Theoretical Calculations of Heavy-atom Isotope Effects},
journal = {Comput. Chem.},
volume = {19},
number = {1},
pages = {11--20},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(94)00048-J},
doi = {10.1016/0097-8485(94)00048-J},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Paneth95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Paneth95a,
author = {Piotr Paneth},
title = {Theoretical Calculations of Heavy-atom Isotope Effects},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {231--240},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)93589-S},
doi = {10.1016/0097-8485(95)93589-S},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Paneth95a.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/PerahiaM95,
author = {David P{\'{e}}rahia and
Liliane Mouawad},
title = {Computation of Low-frequency Normal Modes in Macromolecules: Improvements
to the Method of Diagonalization in a Mixed Basis and Application
to Hemoglobin},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {241--245},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00011-G},
doi = {10.1016/0097-8485(95)00011-G},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/PerahiaM95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/RadomskiRDSW95,
author = {Ryszard Radomski and
Maria Radomska and
Marek Dankowski and
Krystyna Szajowska and
Zdzislaw Wisialski},
title = {Microcomputer-controlled Electrochemical Universal Meter},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {303--323},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00038-T},
doi = {10.1016/0097-8485(95)00038-T},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/RadomskiRDSW95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/RotermanK95,
author = {Irena Roterman and
Leszek Konieczny},
title = {Geometrical Analysis of Structural Changes in Immunoglobulin Domains'
Transition From Native to Molten State},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {247--252},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00003-B},
doi = {10.1016/0097-8485(95)00003-B},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/RotermanK95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/RudnickiL95,
author = {Witold R. Rudnicki and
Bogdan Lesyng},
title = {Applicability of Commonly Used Atom-atom Type Potential Energy Functions
in Structural Analysis of Nucleic Acids. the Role of Electrostatic
Interactions},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {253--258},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00010-P},
doi = {10.1016/0097-8485(95)00010-P},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/RudnickiL95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/RuioCD95,
author = {Manuel S{\'{a}}nchez Del Ru{\'{\i}}o and
Jesus Chaboy and
Ridha Djerbi},
title = {NPI, a Code for {EXAFS} Data Analysis},
journal = {Comput. Chem.},
volume = {19},
number = {1},
pages = {59--61},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(94)00038-G},
doi = {10.1016/0097-8485(94)00038-G},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/RuioCD95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/RuizM95,
author = {Javier Ruiz and
Margarita Mart{\'{\i}}n Mu{\~{n}}oz},
title = {Application of the Truncated Singular Value Decomposition Method to
the Obtention of Rovibrational Population Distributions From Electronic
Spectra of Diatomic Molecules},
journal = {Comput. Chem.},
volume = {19},
number = {4},
pages = {417--431},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00029-R},
doi = {10.1016/0097-8485(95)00029-R},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/RuizM95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Senn95,
author = {Peter Senn},
title = {The Computation of {RKR} Potential Energy Curves of Diatomic Molecules
Using Mathematica},
journal = {Comput. Chem.},
volume = {19},
number = {4},
pages = {437--439},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00016-L},
doi = {10.1016/0097-8485(95)00016-L},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Senn95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Strasburger95,
author = {Krzysztof Strasburger},
title = {A General Program to Calculate Moments of the Electron Density Distribution
and Multipolar Interactions},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {259--261},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00013-I},
doi = {10.1016/0097-8485(95)00013-I},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Strasburger95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/SzubiakowskiNBK95,
author = {Jacek Szubiakowski and
Wieslaw Nowak and
Aleksander Balter and
Andrzej A. Kowalczyk},
title = {Computer-assisted Analysis of Rotational Diffusion Fluorescence Experiments},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {325--330},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00004-C},
doi = {10.1016/0097-8485(95)00004-C},
timestamp = {Thu, 14 Oct 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/SzubiakowskiNBK95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/TamC95,
author = {Kin Y. Tam and
F. T. Chau},
title = {Applications of the Terminate and Stay Resident Programming Technique
for Enhancing Chemical Measurements},
journal = {Comput. Chem.},
volume = {19},
number = {4},
pages = {389--393},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00033-O},
doi = {10.1016/0097-8485(95)00033-O},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/TamC95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/TomczakH95,
author = {Jaroslaw Tomczak and
Jerzy P. Hawranek},
title = {An Object-oriented Approach to the Calculation of the Inverse Kinetic
Energy Matrix},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {331--335},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00019-O},
doi = {10.1016/0097-8485(95)00019-O},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/TomczakH95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/TribeFBB95,
author = {Laurence Tribe and
R. M. Fracchia and
Jorge A. O. Bruno and
Alicia Batana},
title = {Pressure Dependence of the Transverse Optical Mode Gr{\"{u}}neisen
Parameter of Crystals},
journal = {Comput. Chem.},
volume = {19},
number = {4},
pages = {403--408},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00043-R},
doi = {10.1016/0097-8485(95)00043-R},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/TribeFBB95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Utreras-DiazL95,
author = {Constantino A. Utreras{-}D{\'{\i}}az and
Jorge Ricardo Letelier},
title = {A Variational-numerical Method to Solve the One-dimensional Wave Equation
for an Arbitrary Potential},
journal = {Comput. Chem.},
volume = {19},
number = {1},
pages = {39--43},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(94)00042-D},
doi = {10.1016/0097-8485(94)00042-D},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Utreras-DiazL95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/WeiguangH95,
author = {Huang Weiguang and
Brynn Hibbert},
title = {Program Polar 1: Simulator of Voltammograms},
journal = {Comput. Chem.},
volume = {19},
number = {4},
pages = {433},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00025-N},
doi = {10.1016/0097-8485(95)00025-N},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/WeiguangH95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/WeiguangH95a,
author = {Huang Weiguang and
Brynn Hibbert},
title = {Program Seppeak 1.1: Separator of Overlapping Peaks},
journal = {Comput. Chem.},
volume = {19},
number = {4},
pages = {435},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)00072-Z},
doi = {10.1016/0097-8485(95)00072-Z},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/WeiguangH95a.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/Wieczorek-Ciurowa95,
author = {Krystyna Wieczorek{-}Ciurowa},
title = {The Use of Optimization Techniques in the Phase Identification of
Sulphation Limestone Products},
journal = {Comput. Chem.},
volume = {19},
number = {1},
pages = {45--49},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(94)00044-F},
doi = {10.1016/0097-8485(94)00044-F},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/Wieczorek-Ciurowa95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/WojszM95,
author = {Roman Wojsz and
Ryszard Mikulski},
title = {A Microcomputer Program for the Determination of the Micropores Distribution
Functions},
journal = {Comput. Chem.},
volume = {19},
number = {2},
pages = {143--144},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(94)00057-L},
doi = {10.1016/0097-8485(94)00057-L},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/WojszM95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/WyciskH95,
author = {G. C. Wycisk and
Jerzy P. Hawranek},
title = {Optimization of Spectral Band Envelopes with the Use of Variable Metric
Methods},
journal = {Comput. Chem.},
volume = {19},
number = {3},
pages = {337--342},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(95)93590-W},
doi = {10.1016/0097-8485(95)93590-W},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/WyciskH95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/ZhengcaiMM95,
author = {Pu Zhengcai and
Su Mianzhen and
Ruan Shenkang},
title = {Thermoluminescence of {M2B5O9X:} Eu2+ and Its Kinetic Analysis},
journal = {Comput. Chem.},
volume = {19},
number = {2},
pages = {107--112},
year = {1995},
url = {https://doi.org/10.1016/0097-8485(94)00055-J},
doi = {10.1016/0097-8485(94)00055-J},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/ZhengcaiMM95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
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