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Publication search results
found 56 matches
- 1991
- Alicia Batana, Celia Finazzi De Andrade, Inés Gomez:
Grüneisen Parameters of a Hexagonal Close-packed Lattice. Comput. Chem. 15(3): 179-183 (1991) - Alicia Batana, Jorge A. O. Bruno:
Calculation of the Effective Charge of Crystals and Its Volume Dependence. Comput. Chem. 15(3): 225-233 (1991) - Luca Baumer, Giordano Sala, Guido Sello:
Ring Perception in Organic Structures: a New Algorithm for Finding SSSR. Comput. Chem. 15(4): 293-299 (1991) - Luis Angel Berrueta, Luis Angel Fernandez, Fornés Vicente:
Fluorim: a Computer Program for the Automated Data Collection and Treatment Using Commercial Spectrofluorimeters. Comput. Chem. 15(4): 307-312 (1991) - S. Bhattacharjee, A. S. Rao, Purnendu K. Dasgupta:
A New Index for Molecular Property Correlation in Halomethanes. Comput. Chem. 15(4): 319-322 (1991) - Jerzy Cioslowski:
Large Order Perturbation Theory and Summation Methods in Quantum Mechanics: By G. A. Arteca, F. M. Fernández and E. A. Castro. Springer, New York; 1990. ISBN 0-387-52847-4. 638pp. Comput. Chem. 15(3): 238-239 (1991) - Terry W. Clark:
Methods in Computational Chemistry, Vol. 3, Concurrent Computations in Chemical Calculations: Edited By Stephen Wilsos. Plenum Press, New York; 1989. ISBN 0-306-43315-X, 237Pp. Comput. Chem. 15(3): 237-238 (1991) - Michael L. Connolly:
Molecular Interstitial Skeleton. Comput. Chem. 15(1): 37-45 (1991) - W. F. Cooper, Wiley Lyle Parker:
An Inexpensive Personal Computer Based Photon Counter. Comput. Chem. 15(4): 333-336 (1991) - DeLos F. DeTar:
PCs for Chemists: Edited By J. Zupan. Elsevier, Amsterdam, 1990, ISBN 0-444-88623-0; 290pp. Comput. Chem. 15(3): 238 (1991) - Alf Dengler, Ivar Ugi:
A Central Atom Based Algorithm and Computer Program for Substructure Search. Comput. Chem. 15(2): 103-107 (1991) - Raymod E. Dessy:
Scientific Computing and Automation (Europe) 1990: Edited By E.J. Karjalainen. Elsevier, Amsterdam, the Netherlands (1990). ISBN 0-444-88949-3, 488Pp. Comput. Chem. 15(4): 353 (1991) - Raymod E. Dessy:
An Introduction to Laboratory Automation: By Victor Cerda and Guillermo Ramis. Wiley Interscience, New York (1990). ISBN 0-471-61818-7, 306pp. Comput. Chem. 15(4): 353-354 (1991) - Gyula Dömötör, Miklós I. Bán:
Program for Orientating Crystal Surfaces. Comput. Chem. 15(1): 91-92 (1991) - Rui Fausto, José Joaquim C. Teixeira-Dias:
NBI: A Fortran Program for Molecular Mechanics Calculations on a Microcomputer. Comput. Chem. 15(2): 175-177 (1991) - Juan M. de la Figuera, J. Luque, V. Menendez, J. C. Rodriguez:
An Algorithm for the Determination of the Vibrational Energy Distribution in "hot" Molecules. Description and Test. Comput. Chem. 15(4): 323-332 (1991) - Blandine Fourest, François David, E. Haltier, Nicole Borome, Alphonse Richard, Daniel Lecouturier, Gérard Lalu:
A Rapid Scanning Spectrophotometer: Applications to Some Spectroelectrochemical Experiments. Comput. Chem. 15(3): 207-214 (1991) - Shridhar R. Gadre, Sangeeta Bapat, Indira Shrivastava:
Computation of Molecular Electrostatic Potential: an Efficient Algorithm and Parallelization. Comput. Chem. 15(3): 203-206 (1991) - Janusz Gawlowski, Krzysztof Franaszczuk, Miroslaw Jaskiewicz, Jan Niedzielski:
Modernization of the MX-1321Mass-spectrometer: a New Information System for GC/MS Analysis. Comput. Chem. 15(2): 109-113 (1991) - Maciej Geller, A. Lazkowski, Stanley M. Swanson, Edgar F. Meyer Jr.:
Dynamical Analysis of the Conformation of the Active Site of Porcine Pancreatic Elastase in Native and Michaelis Complex States. Molecular Dynamics Simulations. Comput. Chem. 15(3): 261-272 (1991) - Gabriela Guerrero-Ruiz, Arturo Ocadiz-Ramírez, Ramón Garduño-Juárez:
ESFERA: A Program for Exact Calculation of the Volume and Surface Area of Fused Hard-sphere Molecules with Unequal Atomic Radii. Comput. Chem. 15(4): 351-352 (1991) - Ülo Haldna, Marina Grebenkova, Arkadi Ebber:
A New Approach to the Analysis of the UV Absorption Spectra of Ketones in Aqueous Sulfuric Acid. Comput. Chem. 15(2): 99-102 (1991) - Minoru Hirota, Kazuhisa Sakakibara, Tamiki Komatsuzaki, Ikuo Akai:
A New Steric Substituent Constant S Based on Molecular Mechanics Calculations. Comput. Chem. 15(3): 241-248 (1991) - Fiorino Humbert, Alain Retournard, Jean Brondeau, Daniel Canet:
Fast Bidirectional NMR Data Transfer Between the Bruker Aspect 3000and a Personal Computer. Comput. Chem. 15(4): 301-305 (1991) - Roy T. Ing:
Molly - A Language for Typesetting Molecular Structure Diagrams. Comput. Chem. 15(3): 185-201 (1991) - Jan K. Labanowski, Ioan Motoc, Richard A. Dammkoehler:
The Physical Meaning of Topological Indices. Comput. Chem. 15(1): 47-53 (1991) - Claudimir Lucio do Lago, Concetta Kascheres:
New Method of Isotope Pattern Analysis. Comput. Chem. 15(2): 149-155 (1991) - S. C. Lee, Soo-Y. Lee:
A Rapid Method for Determining Excited State Surface Parameters and Bond Length in Diatomic Molecules and Calculating Wavefunctions for Franck-Condon Factors Using the Quantum Momentum Method. Comput. Chem. 15(3): 215-223 (1991) - Laurence Leherte, Jean-Marie André, Eric G. Derouane, Daniel P. Vercauteren:
Study of the Water Behavior into a Ferrierite Zeolite by Molecular Dynamics Simulations. Comput. Chem. 15(3): 273-285 (1991) - János Lejtovicz:
A Computer Program for the Deficiency Zero and Deficiency One Theorems. Comput. Chem. 15(2): 143-147 (1991)
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