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A mathematical model of the logical structure of chemistry. A bridge between theoretical and experimental chemistry and a general tool for computer-assisted molecular design

https://doi.org/10.1007/bf01114751
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/qua.560380222openalex-snapshot
Graph theory of synthons
inferredcites →https://doi.org/10.1007/978-1-4613-2137-8openalex-snapshot
Chemistry by Computer
inferredcites →https://doi.org/10.1007/978-3-642-93266-3openalex-snapshot
Perspectives in Theoretical Stereochemistry
inferredcites →https://doi.org/10.1007/978-3-642-93416-2openalex-snapshot
Synthon Model of Organic Chemistry and Synthesis Design
inferredcites →https://doi.org/10.1007/bf00548695openalex-snapshot
Quantum chemical reaction networks, reaction graphs and the structure of potential energy hypersurfaces
inferredcites →https://doi.org/10.1007/bf01166047openalex-snapshot
Two metrics for a graph-theoretical model of organic chemistry
inferredcites →https://doi.org/10.1007/bf01171885openalex-snapshot
A mathematical model of realistic constitutional chemistry. A synthon approach. I: An algebraic model of a synthon
inferredcites →https://doi.org/10.1016/0009-2614(77)80574-5openalex-snapshot
The synchronous-transit method for determining reaction pathways and locating molecular transition states
inferredcites →https://doi.org/10.1016/0022-2860(81)80093-2openalex-snapshot
Relationship between torsional angles and ring-puckering coordinates
inferredcites →https://doi.org/10.1016/0166-1280(89)80014-4openalex-snapshot
Conformation of cyclodipeptides
inferredcites →https://doi.org/10.1021/ja00839a011openalex-snapshot
General definition of ring puckering coordinates
inferredcites →https://doi.org/10.1038/scientificamerican0470-54openalex-snapshot
Chemistry by Computer
inferredcites →https://doi.org/10.1135/cccc19841247openalex-snapshot
Valence states of atoms and their conversions
inferredcites →https://doi.org/10.1135/cccc19881007openalex-snapshot
A mathematical model of the synthon
inferredcites →https://doi.org/10.1135/cccc19883119openalex-snapshot
The reaction distance

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1002/jcc.540150904openalex-snapshot
D‐CICADA: A software for conformational PES elucidation on network of workstations
inferred← citeshttps://doi.org/10.1002/jcc.540160305openalex-snapshot
Conformational analysis and flexibility of carbohydrates using the CICADA approach with MM3
inferred← citeshttps://doi.org/10.1007/bf01114750openalex-snapshot
A mathematical model of the logical structure of chemistry. A bridge between theoretical and experimental chemistry and a general tool for computer-assisted molecular design
inferred← citeshttps://doi.org/10.1016/0166-1280(92)87183-zopenalex-snapshot
DAISY, a computational method: a novel tool for the study of the conformational behavior of flexible molecules
inferred← citeshttps://doi.org/10.1016/0166-1280(94)80091-xopenalex-snapshot
Computer program CICADA — travelling along conformational potential energy hypersurface
inferred← citeshttps://doi.org/10.1016/0166-1280(95)04237-zopenalex-snapshot
Computer simulation of conformational movement based on interconversion phenomena
inferred← citeshttps://doi.org/10.1016/j.engfracmech.2026.112107openalex-snapshot
Energy barrier for crack nucleation via the phase field approach to fracture and the nudged elastic band method
inferred← citeshttps://doi.org/10.1016/s0079-6107(98)00029-7openalex-snapshot
Travelling through conformational space: an approach for analyzing the conformational behaviour of flexible molecules
inferred← citeshttps://doi.org/10.1016/s0097-8485(96)00004-6openalex-snapshot
A multidimensional driver for quantum chemistry program MOPAC
inferred← citeshttps://doi.org/10.1021/acs.jctc.8b00799openalex-snapshot
Combined Molecular Dynamics and Coordinate Driving Method for Automatic Reaction Pathway Search of Reactions in Solution
inferred← citeshttps://doi.org/10.1021/acs.jpca.6b12195openalex-snapshot
Automatic Reaction Pathway Search via Combined Molecular Dynamics and Coordinate Driving Method
inferred← citeshttps://doi.org/10.1021/ci9804138openalex-snapshot
VADER: New Software for Exploring Interconversions on Potential Energy Surfaces
inferred← citeshttps://doi.org/10.1039/d2sc05135dopenalex-snapshot
Guided discovery of chemical reaction pathways with imposed activation
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