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The Journal of Physical Chemistry A

Resumen/Descripción – provisto por la editorial

No disponible.

Palabras clave – provistas por la editorial

No disponibles.

Disponibilidad
Institución detectada Período Navegá Descargá Solicitá
No detectada desde ene. 1997 / hasta dic. 2023 ACS Publications

Información

Tipo de recurso:

revistas

ISSN impreso

1089-5639

ISSN electrónico

1520-5215

Editor responsable

American Chemical Society (ACS)

País de edición

Estados Unidos

Fecha de publicación

Tabla de contenidos

Properties of Atoms in Molecules:  Atoms Forming Molecules

Jesús Hernández-Trujillo; Richard F. W. Bader

Pp. 1779-1794

Quadrupolar Solvent Effects on Solvation and Reactivity of Solutes Dissolved in Supercritical CO2

John F. Kauffman

Pp. 3433-3442

Dipole Solvation:  Nonlinear Effects, Density Reorganization, and the Breakdown of the Onsager Saturation Limit†

Anatoli Milischuk; Dmitry V. Matyushov

Pp. 2146-2157

Electronic and Vibrational Polarizabilities and Hyperpolarizabilities of Azoles: A Comparative Study of the Structure−Polarization Relationship

Karl Jug; Sandro Chiodo; Patrizia Calaminici; Aggelos Avramopoulos; Manthos G. Papadopoulos

Palabras clave: Physical and Theoretical Chemistry.

Pp. 4172-4183

Block-Localized Wavefunction (BLW) Method at the Density Functional Theory (DFT) Level

Yirong Mo; Lingchun Song; Yuchun Lin

Palabras clave: Physical and Theoretical Chemistry.

Pp. 8291-8301

A New Scale of Electronegativity Based on Electrophilicity Index

Siamak Noorizadeh; Ehsan Shakerzadeh

Palabras clave: Physical and Theoretical Chemistry.

Pp. 3486-3491

Net Electrophilicity

Pratim Kumar Chattaraj; Arindam Chakraborty; Santanab Giri

Pp. 10068-10074

Solvent Effects on the Electronic Transitions ofp-Nitroaniline: A QM/EFP Study

Dmytro Kosenkov; Lyudmila V. Slipchenko

Palabras clave: Physical and Theoretical Chemistry.

Pp. 392-401

Intramolecular Hydrogen Bonds: the QTAIM and ELF Characteristics

Franck Fuster; Sławomir J. Grabowski

Palabras clave: Physical and Theoretical Chemistry.

Pp. 10078-10086

Oxidation Reactions of Thymol: A Pulse Radiolysis and Theoretical Study

S. Venu; D. B. Naik; S. K. Sarkar; Usha K. Aravind; A. Nijamudheen; C. T. Aravindakumar

Pp. 291-299