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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
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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/andp.19273892002openalex-snapshot
Zur Quantentheorie der Molekeln
inferredcites →https://doi.org/10.1002/anie.197109141openalex-snapshot
Representation of Chemical Systems and Interconversions by be Matrices and Their Transformation Properties
inferredcites →https://doi.org/10.1002/anie.198704031openalex-snapshot
Computer‐Assisted Molecular Design (CAMD)—An Overview
inferredcites →https://doi.org/10.1002/jcc.540090606openalex-snapshot
Shape group studies of molecular similarity and regioselectivity in chemical reactions
inferredcites →https://doi.org/10.1002/qua.560260859openalex-snapshot
Network relations on potential surfaces as aids to computer-based quantum-chemical synthesis planning
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/bf00554117openalex-snapshot
Reactive domains of energy hypersurfaces and the stability of minimum energy reaction paths
inferredcites →https://doi.org/10.1007/bf01114751openalex-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
inferredcites →https://doi.org/10.1007/bf01166045openalex-snapshot
A review and examination of the mathematical spaces underlying molecular similarity analysis
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/10.1007/bf02426907openalex-snapshot
Catchment region partitioning of energy hypersurfaces, I
inferredcites →https://doi.org/10.1007/bf02450290openalex-snapshot
New algorithms to look for the most stable conformations of a molecule
inferredcites →https://doi.org/10.1016/0022-2860(77)87052-xopenalex-snapshot
Chemical applications of graph theory
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(87)80046-5openalex-snapshot
Global analysis and group theory of reaction mechanisms
inferredcites →https://doi.org/10.1016/0166-1280(87)85080-7openalex-snapshot
Contemporary theory of chemical isomerism
inferredcites →https://doi.org/10.1016/0166-1280(88)80040-xopenalex-snapshot
Potential energy hypersurfaces
inferredcites →https://doi.org/10.1016/0166-1280(88)80128-3openalex-snapshot
Models and modeling in theoretical chemistry
inferredcites →https://doi.org/10.1016/0166-1280(89)80014-4openalex-snapshot
Conformation of cyclodipeptides
inferredcites →https://doi.org/10.1016/0166-1280(89)85015-8openalex-snapshot
Some aspects of mathematical chemistry of equilibrium and rate processes: steps towards a completely non-empirical computer design of syntheses
inferredcites →https://doi.org/10.1021/ci00039a005openalex-snapshot
Chemical inference. 1. Formalization of the language of organic chemistry: generic structural formulas
inferredcites →https://doi.org/10.1021/ci00053a006openalex-snapshot
WIZARD: applications of expert system techniques to conformational analysis. 1. The basic algorithms exemplified on simple hydrocarbons
inferredcites →https://doi.org/10.1021/j100717a029openalex-snapshot
Formulation of the reaction coordinate
inferredcites →https://doi.org/10.1021/ja00194a035openalex-snapshot
An internal-coordinate Monte Carlo method for searching conformational space
inferredcites →https://doi.org/10.1021/ja00304a033openalex-snapshot
A logic-based program for synthesis design
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
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/10.1016/0022-2860(93)85049-zopenalex-snapshot
Potential energy hypersurface and molecular flexibility
inferred← citeshttps://doi.org/10.1016/0022-2860(93)85050-5openalex-snapshot
Conformational behavior and flexibility of terminally blocked alanine di- and tripeptides
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/10.1016/s0166-1280(99)00056-1openalex-snapshot
Comparison of conformational behavior of the short alanine peptides and their boron analogues
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/ci200444dopenalex-snapshot
SiteBinder: An Improved Approach for Comparing Multiple Protein Structural Motifs
inferred← citeshttps://doi.org/10.1021/ci9804138openalex-snapshot
VADER: New Software for Exploring Interconversions on Potential Energy Surfaces
inferred← citeshttps://doi.org/10.1021/jp026890hopenalex-snapshot
Computer Modeling and Simulations on Flexible Bifunctional Systems: Intramolecular Energy Transfer Implications
inferred← citeshttps://doi.org/10.1039/d2sc05135dopenalex-snapshot
Guided discovery of chemical reaction pathways with imposed activation
inferred← citeshttps://doi.org/10.1080/07391102.1999.10508317openalex-snapshot
Differences in Conformational Behavior of ATA and TAT Sequences in Single Strand DNA Trimer
inferred← citeshttps://doi.org/10.26434/chemrxiv.13008500openalex-snapshot
Automatic discovery of chemical reactions using imposed activation
inferred← citeshttps://doi.org/10.26434/chemrxiv.13008500.v1openalex-snapshot
Automatic discovery of chemical reactions using imposed activation
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