Estimation of molecular acidity via electrostatic potential at the nucleus and valence natural atomic orbitals.
about
Theoretical and experimental studies of the isomeric protonation in solution for a prototype aliphatic ring containing two nitrogensMolecular acidity: A quantitative conceptual density functional theory description.Steric, quantum, and electrostatic effects on S(N)2 reaction barriers in gas phase.Lee Pedersen's work in theoretical and computational chemistry and biochemistryPrediction of the Fate of Organic Compounds in the Environment From Their Molecular Properties: A Review.Molecular acidity: An accurate description with information-theoretic approach in density functional reactivity theory.On the physical interpretation of the nuclear molecular orbital energy.Aromaticity and antiaromaticity of substituted fulvene derivatives: perspectives from the information-theoretic approach in density functional reactivity theory.Density functional reactivity theory study of SN2 reactions from the information-theoretic perspective.Scaling properties of information-theoretic quantities in density functional reactivity theory.
P2860
Q33517563-CEB926B2-73BF-48D7-989E-67656D897375Q33793811-E3671FC6-678D-46FF-968A-060F0217038CQ33834659-DD96D9ED-66A8-4255-9FF5-F00DBE636FCDQ34879205-4B133860-31F0-4C93-B4D4-C995DAD4B303Q38417877-9EA54899-BCD2-474E-A36E-E9053E73F9A7Q47405271-24631E0A-14F0-429D-8580-DC00AAF5BC15Q47818886-55E019D0-1D02-4C5D-A644-15AC0C2BDCCEQ47942574-C009CA37-7D82-4660-8311-DA3AC9EB5A82Q51705098-F6DF15FA-739B-4DCE-9CC1-357433F11E0CQ53337711-8AF711B7-8523-4543-95C7-1C3296959F14
P2860
Estimation of molecular acidity via electrostatic potential at the nucleus and valence natural atomic orbitals.
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on April 2009
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
Estimation of molecular acidit ...... lence natural atomic orbitals.
@en
Estimation of molecular acidit ...... lence natural atomic orbitals.
@nl
type
label
Estimation of molecular acidit ...... lence natural atomic orbitals.
@en
Estimation of molecular acidit ...... lence natural atomic orbitals.
@nl
prefLabel
Estimation of molecular acidit ...... lence natural atomic orbitals.
@en
Estimation of molecular acidit ...... lence natural atomic orbitals.
@nl
P2860
P356
P1476
Estimation of molecular acidit ...... lence natural atomic orbitals.
@en
P2093
Lee G Pedersen
Shubin Liu
P2860
P304
P356
10.1021/JP811250R
P407
P577
2009-04-01T00:00:00Z