Solvent effect on DNA base stacked dimers: An isodensity polarizable continuum model approach

D. Sivanesan; V. Subramanian; B. U. Nair

doi:10.1002/qua.1429

Solvent effect on DNA base stacked dimers: An isodensity polarizable continuum model approach

International Journal of Quantum Chemistry ◽

10.1002/qua.1429 ◽

2001 ◽

Vol 84 (6) ◽

pp. 750-758 ◽

Cited By ~ 7

Author(s):

D. Sivanesan ◽

V. Subramanian ◽

B. U. Nair

Keyword(s):

Solvent Effect ◽

Continuum Model ◽

Polarizable Continuum Model ◽

Dna Base ◽

Polarizable Continuum ◽

Model Approach

Download Full-text

Solvent effect on vertical electronic transitions by the polarizable continuum model

The Journal of Chemical Physics ◽

10.1063/1.480808 ◽

2000 ◽

Vol 112 (5) ◽

pp. 2427-2435 ◽

Cited By ~ 284

Author(s):

Maurizio Cossi ◽

Vincenzo Barone

Keyword(s):

Solvent Effect ◽

Continuum Model ◽

Polarizable Continuum Model ◽

Electronic Transitions ◽

Polarizable Continuum

Download Full-text

Electronic excitation energies in solution at equation of motion CCSD level within a state specific polarizable continuum model approach

The Journal of Chemical Physics ◽

10.1063/1.3314221 ◽

2010 ◽

Vol 132 (8) ◽

pp. 084102 ◽

Cited By ~ 40

Author(s):

Marco Caricato ◽

Benedetta Mennucci ◽

Giovanni Scalmani ◽

Gary W. Trucks ◽

Michael J. Frisch

Keyword(s):

Continuum Model ◽

Electronic Excitation ◽

Equation Of Motion ◽

Polarizable Continuum Model ◽

Excitation Energies ◽

Polarizable Continuum ◽

Model Approach

Download Full-text

Quantum Mechanical Polarizable Continuum Model Approach to the Kerr Effect of Pure Liquids

The Journal of Physical Chemistry B ◽

10.1021/jp053097q ◽

2005 ◽

Vol 109 (39) ◽

pp. 18706-18714 ◽

Cited By ~ 25

Author(s):

Chiara Cappelli ◽

Benedetta Mennucci ◽

Roberto Cammi ◽

Antonio Rizzo

Keyword(s):

Kerr Effect ◽

Continuum Model ◽

Polarizable Continuum Model ◽

Quantum Mechanical ◽

Polarizable Continuum ◽

Model Approach

Download Full-text

Symmetry-adapted cluster and symmetry-adapted cluster-configuration interaction method in the polarizable continuum model: Theory of the solvent effect on the electronic excitation of molecules in solution

The Journal of Chemical Physics ◽

10.1063/1.3456540 ◽

2010 ◽

Vol 133 (2) ◽

pp. 024104 ◽

Cited By ~ 66

Author(s):

Roberto Cammi ◽

Ryoichi Fukuda ◽

Masahiro Ehara ◽

Hiroshi Nakatsuji

Keyword(s):

Solvent Effect ◽

Model Theory ◽

Configuration Interaction ◽

Continuum Model ◽

Electronic Excitation ◽

Polarizable Continuum Model ◽

Interaction Method ◽

Configuration Interaction Method ◽

Cluster Configuration ◽

Polarizable Continuum

Download Full-text

Solvent effect on the stability and properties of platinum-substituted borirene and boryl isomers: The polarizable continuum model

Russian Journal of Physical Chemistry A ◽

10.1134/s0036024416110212 ◽

2016 ◽

Vol 90 (11) ◽

pp. 2211-2216 ◽

Cited By ~ 14

Author(s):

Reza Ghiasi ◽

Ali Peikari

Keyword(s):

Solvent Effect ◽

Continuum Model ◽

Polarizable Continuum Model ◽

The Stability ◽

Polarizable Continuum

Download Full-text

Solvation of N3-at the Water Surface: The Polarizable Continuum Model Approach

The Journal of Physical Chemistry B ◽

10.1021/jp060794p ◽

2006 ◽

Vol 110 (23) ◽

pp. 11361-11368 ◽

Cited By ~ 8

Author(s):

Laban Bondesson ◽

Luca Frediani ◽

Hans Ågren ◽

Benedetta Mennucci

Keyword(s):

Water Surface ◽

Continuum Model ◽

Polarizable Continuum Model ◽

Polarizable Continuum ◽

Model Approach

Download Full-text

Effective modeling of intrinsic and environmental effects on the structure and electron plaramagnetic resonance parameters of nitroxides by an integrated quantum mechanical/molecular mechanics/polarizable continuum model approach

Theoretical Chemistry Accounts ◽

10.1007/s002140000122 ◽

2000 ◽

Vol 104 (3-4) ◽

pp. 273-279 ◽

Cited By ~ 14

Author(s):

R. Improta ◽

A. di Matteo ◽

V. Barone

Keyword(s):

Molecular Mechanics ◽

Environmental Effects ◽

Continuum Model ◽

Polarizable Continuum Model ◽

Quantum Mechanical ◽

Resonance Parameters ◽

Polarizable Continuum ◽

Model Approach

Download Full-text

Polarizable Continuum Model Study on the Solvent Effect of Polymer Matrix in Poly(ethylene oxide)-Based Solid Electrolyte

The Journal of Physical Chemistry A ◽

10.1021/jp8021166 ◽

2008 ◽

Vol 112 (37) ◽

pp. 8849-8857 ◽

Cited By ~ 11

Author(s):

Andrzej Eilmes ◽

Piotr Kubisiak

Keyword(s):

Ethylene Oxide ◽

Solvent Effect ◽

Solid Electrolyte ◽

Polymer Matrix ◽

Continuum Model ◽

Polarizable Continuum Model ◽

Model Study ◽

Poly Ethylene Oxide ◽

Poly Ethylene ◽

Polarizable Continuum

Download Full-text

Computation of protein pK’s values by an integrated density functional theory/Polarizable Continuum Model approach

Theoretical Chemistry Accounts ◽

10.1007/s00214-003-0541-4 ◽

2004 ◽

Vol 111 (2-6) ◽

pp. 237-245 ◽

Cited By ~ 34

Author(s):

Vincenzo Barone ◽

Roberto Improta ◽

Nadia Rega

Keyword(s):

Density Functional Theory ◽

Continuum Model ◽

Density Functional ◽

Polarizable Continuum Model ◽

Functional Theory ◽

Polarizable Continuum ◽

Model Approach

Download Full-text

Henry's Law Constants for 2-Azidoethanamine Hypergols: Estimates From a Density Functional Theory/Polarizable Continuum Model

10.21236/ada500662 ◽

2009 ◽

Cited By ~ 2

Author(s):

Michael J. McQuaid

Keyword(s):

Density Functional Theory ◽

Continuum Model ◽

Density Functional ◽

Polarizable Continuum Model ◽

Henry's Law ◽

Functional Theory ◽

Henry’S Law ◽

Henry’S Law Constants ◽

Henry's Law Constants ◽

Polarizable Continuum

Download Full-text