Package | Description |
---|---|
org.openscience.cdk.reaction.type | |
org.openscience.cdk.tools |
Modifier and Type | Class and Description |
---|---|
class |
AdductionProtonLPReaction
IReactionProcess which produces a protonation.
|
class |
AdductionProtonPBReaction
IReactionProcess which produces a protonation to double bond.
|
class |
AdductionSodiumLPReaction
IReactionProcess which produces an adduction of the Sodium.
|
class |
CarbonylEliminationReaction
IReactionProcess which participate mass spectrum process.
|
class |
ElectronImpactNBEReaction
IReactionProcess which make an electron impact for for Non-Bonding Electron Lost.
|
class |
ElectronImpactPDBReaction
IReactionProcess which make an electron impact for pi-Bond Dissociation.
|
class |
ElectronImpactSDBReaction
IReactionProcess which make an electron impact for Sigma Bond Dissociation.
|
class |
HeterolyticCleavagePBReaction
IReactionProcess which a bond is broken displacing the electron to one of the
atoms.
|
class |
HeterolyticCleavageSBReaction
IReactionProcess which a bond is broken displacing the electron to one of the
atoms.
|
class |
HomolyticCleavageReaction
IReactionProcess which breaks the bond homogeneously leading to radical ions.
|
class |
HyperconjugationReaction
HyperconjugationReaction is the stabilizing interaction that results
from the interaction of the electrons in a s-bond (for our case only C-H)
with an adjacent empty (or partially filled) p-orbital.
|
class |
PiBondingMovementReaction
IReactionProcess which tries to reproduce the delocalization of electrons
which are unsaturated bonds from conjugated rings.
|
class |
RadicalChargeSiteInitiationHReaction
IReactionProcess which participate mass spectrum process.
|
class |
RadicalChargeSiteInitiationReaction
IReactionProcess which participate mass spectrum process.
|
class |
RadicalSiteHrAlphaReaction
This reaction could be represented as [A*]-(C)_2-C3[H] => A([H])-(C_2)-[C3*].
|
class |
RadicalSiteHrBetaReaction
This reaction could be represented as [A*]-(C)_3-C4[H] => A([H])-(C_3)-[C4*].
|
class |
RadicalSiteHrDeltaReaction
This reaction could be represented as [A*]-(C)_4-C5[H] => A([H])-(C_4)-[C5*].
|
class |
RadicalSiteHrGammaReaction
This reaction could be represented as [A*]-C1-C2-C3[H] => A([H])-C1-C2-[C3*].
|
class |
RadicalSiteInitiationHReaction
IReactionProcess which participate mass spectrum process.
|
class |
RadicalSiteInitiationReaction
IReactionProcess which participate mass spectrum process.
|
class |
RadicalSiteRrAlphaReaction
This reaction could be represented as [A*]-(C)_2-C3[R] => A([RH])-(C_2)-[C3*].
|
class |
RadicalSiteRrBetaReaction
This reaction could be represented as [A*]-(C)_3-C4[R] => A([R])-(C_3)-[C4*].
|
class |
RadicalSiteRrDeltaReaction
This reaction could be represented as [A*]-(C)_5-C6[R] => A([R])-(C_5)-[C6*].
|
class |
RadicalSiteRrGammaReaction
This reaction could be represented as [A*]-(C)_4-C5[R] => A([R])-(C_4)-[C5*].
|
class |
RearrangementAnionReaction
IReactionProcess which participate in movement resonance.
|
class |
RearrangementCationReaction
IReactionProcess which participate in movement resonance.
|
class |
RearrangementLonePairReaction
IReactionProcess which participate in movement resonance.
|
class |
RearrangementRadicalReaction
IReactionProcess which participate in movement resonance.
|
class |
SharingAnionReaction
IReactionProcess which participate in movement resonance.
|
class |
SharingChargeDBReaction
IReactionProcess which participate in movement resonance.
|
class |
SharingChargeSBReaction
IReactionProcess which participate in movement resonance.
|
class |
SharingLonePairReaction
IReactionProcess which participate in movement resonance.
|
class |
TautomerizationReaction
IReactionProcess which produces a tautomerization chemical reaction.
|
Modifier and Type | Method and Description |
---|---|
List<IReactionProcess> |
StructureResonanceGenerator.getReactions()
Get the reactions that must be presents in the generation of the resonance.
|
Modifier and Type | Method and Description |
---|---|
void |
StructureResonanceGenerator.setReactions(List<IReactionProcess> newReactionsList)
Set the reactions that must be used in the generation of the resonance.
|
Copyright © 2021. All rights reserved.