Citations (37)
Keep up to date with the latest research on this topic with citation updates for this article.
Articles from other publishers (37)
Maria Cecilia Barrera, Jordan Cree, José R.B. Gomes & Miguel Jorge. (2023) Polarization-consistent force field for ketones. Journal of Molecular Liquids 383, pages 122070.
Crossref
Crossref
Miguel Jorge, Maria Cecilia Barrera, Andrew W. Milne, Chris Ringrose & Daniel J. Cole. (2023) What is the Optimal Dipole Moment for Nonpolarizable Models of Liquids?. Journal of Chemical Theory and Computation 19:6, pages 1790-1804.
Crossref
Crossref
Miguel Jorge, José R.B. Gomes & Maria Cecilia Barrera. (2022) The dipole moment of alcohols in the liquid phase and in solution. Journal of Molecular Liquids 356, pages 119033.
Crossref
Crossref
Miguel Jorge, José R.B. Gomes & Andrew W. Milne. (2021) Self-consistent electrostatic embedding for liquid phase polarization. Journal of Molecular Liquids 322, pages 114550.
Crossref
Crossref
Marco Caricato. (2020) Coupled cluster theory in the condensed phase within the singles‐T density scheme for the environment response. WIREs Computational Molecular Science 10:5.
Crossref
Crossref
Sijin Ren, Filippo Lipparini, Benedetta Mennucci & Marco Caricato. (2019) Coupled Cluster Theory with Induced Dipole Polarizable Embedding for Ground and Excited States. Journal of Chemical Theory and Computation 15:8, pages 4485-4496.
Crossref
Crossref
Marco Caricato. (2014) A corrected-linear response formalism for the calculation of electronic excitation energies of solvated molecules with the CCSD-PCM method. Computational and Theoretical Chemistry 1040-1041, pages 99-105.
Crossref
Crossref
Kestutis Aidas, Celestino Angeli, Keld L. Bak, Vebjørn Bakken, Radovan Bast, Linus Boman, Ove Christiansen, Renzo Cimiraglia, Sonia Coriani, Pål Dahle, Erik K. Dalskov, Ulf Ekström, Thomas Enevoldsen, Janus J. Eriksen, Patrick Ettenhuber, Berta Fernández, Lara Ferrighi, Heike Fliegl, Luca Frediani, Kasper Hald, Asger Halkier, Christof Hättig, Hanne Heiberg, Trygve Helgaker, Alf Christian Hennum, Hinne Hettema, Eirik Hjertenaes, Stinne Høst, Ida-Marie Høyvik, Maria Francesca Iozzi, Branislav Jansík, Hans Jørgen Aa. Jensen, Dan Jonsson, Poul Jørgensen, Joanna Kauczor, Sheela Kirpekar, Thomas Kjaergaard, Wim Klopper, Stefan Knecht, Rika Kobayashi, Henrik Koch, Jacob Kongsted, Andreas Krapp, Kasper Kristensen, Andrea Ligabue, Ola B. Lutnaes, Juan I. Melo, Kurt V. Mikkelsen, Rolf H. Myhre, Christian Neiss, Christian B. Nielsen, Patrick Norman, Jeppe Olsen, Jógvan Magnus H. Olsen, Anders Osted, Martin J. Packer, Filip Pawlowski, Thomas B. Pedersen, Patricio F. Provasi, Simen Reine, Zilvinas Rinkevicius, Torgeir A. Ruden, Kenneth Ruud, Vladimir V. Rybkin, Pawel Sałek, Claire C. M. Samson, Alfredo Sánchez de Merás, Trond Saue, Stephan P. A. Sauer, Bernd Schimmelpfennig, Kristian Sneskov, Arnfinn H. Steindal, Kristian O. Sylvester-Hvid, Peter R. Taylor, Andrew M. Teale, Erik I. Tellgren, David P. Tew, Andreas J. Thorvaldsen, Lea Thøgersen, Olav Vahtras, Mark A. Watson, David J. D. Wilson, Marcin Ziolkowski & Hans Ågren. (2014) The Dalton quantum chemistry program system. Wiley Interdisciplinary Reviews: Computational Molecular Science 4:3, pages 269-284.
Crossref
Crossref
Marco Caricato, Filippo Lipparini, Giovanni Scalmani, Chiara Cappelli & Vincenzo Barone. (2013) Vertical Electronic Excitations in Solution with the EOM-CCSD Method Combined with a Polarizable Explicit/Implicit Solvent Model. Journal of Chemical Theory and Computation 9:7, pages 3035-3042.
Crossref
Crossref
Marco Caricato. (2012) Exploring Potential Energy Surfaces of Electronic Excited States in Solution with the EOM-CCSD-PCM Method. Journal of Chemical Theory and Computation 8:12, pages 5081-5091.
Crossref
Crossref
Marco Caricato. (2012) Absorption and Emission Spectra of Solvated Molecules with the EOM–CCSD–PCM Method. Journal of Chemical Theory and Computation 8:11, pages 4494-4502.
Crossref
Crossref
Trygve Helgaker, Sonia Coriani, Poul Jørgensen, Kasper Kristensen, Jeppe Olsen & Kenneth Ruud. (2012) Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations. Chemical Reviews 112:1, pages 543-631.
Crossref
Crossref
André Severo Pereira Gomes & Christoph R. Jacob. (2012) Quantum-chemical embedding methods for treating local electronic excitations in complex chemical systems. Annual Reports Section "C" (Physical Chemistry) 108, pages 222.
Crossref
Crossref
Albert DeFusco, Noriyuki Minezawa, Lyudmila V. Slipchenko, Federico Zahariev & Mark S. Gordon. (2011) Modeling Solvent Effects on Electronic Excited States. The Journal of Physical Chemistry Letters 2:17, pages 2184-2192.
Crossref
Crossref
Kristian O. Sylvester-Hvid, Kurt V. Mikkelsen & Mark A. Ratner. (2011) The iterative self-consistent reaction-field method: The refractive index of pure water. International Journal of Quantum Chemistry 111:4, pages 904-913.
Crossref
Crossref
Yukio Kawashima, Haruyuki Nakano, Jaewoon Jung & Seiichiro Ten-no. (2011) A combined quantum mechanical and molecular mechanical method using modified generalized hybrid orbitals: implementation for electronic excited states. Physical Chemistry Chemical Physics 13:24, pages 11731.
Crossref
Crossref
Roberto Cammi, Ryoichi Fukuda, Masahiro Ehara & Hiroshi Nakatsuji. (2010) 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 133:2.
Crossref
Crossref
Andreas Møgelhøj, Kestutis Aidas, Kurt V. Mikkelsen & Jacob Kongsted. (2008) Solvent effects on the nitrogen NMR shielding and nuclear quadrupole coupling constants in 1-methyltriazoles. Chemical Physics Letters 460:1-3, pages 129-136.
Crossref
Crossref
Marianne Sloth Madsen, Allan Gross, Hanne Falsig, Jacob Kongsted, Anders Osted, Kurt V. Mikkelsen & Ove Christiansen. (2008) Determination of rate constants for the uptake process involving SO2 and an aerosol particle. A quantum mechanics/molecular mechanics and quantum statistical investigation. Chemical Physics 348:1-3, pages 21-30.
Crossref
Crossref
Allan Gross, Ole John Nielsen & Kurt V. Mikkelsen. 2008. Applications of Theoretical Methods to Atmospheric Science. Applications of Theoretical Methods to Atmospheric Science
355
385
.
Benedetta Mennucci. 2008. Solvation Effects on Molecules and Biomolecules. Solvation Effects on Molecules and Biomolecules
1
21
.
Jacob Kongsted & Benedetta Mennucci. (2007) How to Model Solvent Effects on Molecular Properties Using Quantum Chemistry? Insights from Polarizable Discrete or Continuum Solvation Models. The Journal of Physical Chemistry A 111:39, pages 9890-9900.
Crossref
Crossref
Christian B. Nielsen, Ove Christiansen, Kurt V. Mikkelsen & Jacob Kongsted. (2007) Density functional self-consistent quantum mechanics/molecular mechanics theory for linear and nonlinear molecular properties: Applications to solvated water and formaldehyde. The Journal of Chemical Physics 126:15, pages 154112.
Crossref
Crossref
Anders Osted, Jacob Kongsted, Kurt V. Mikkelsen & Ove Christiansen. (2006) The electronic spectrum of the micro-solvated alanine zwitterion calculated using the combined coupled cluster/molecular mechanics method. Chemical Physics Letters 429:4-6, pages 430-435.
Crossref
Crossref
Ove Christiansen. (2005) Coupled Cluster Theory with Emphasis on Selected New Developments. Theoretical Chemistry Accounts 116:1-3, pages 106-123.
Crossref
Crossref
Kurt V. Mikkelsen. (2006) CORRELATED ELECTRONIC STRUCTURE NONLINEAR RESPONSE METHODS FOR STRUCTURED ENVIRONMENTS. Annual Review of Physical Chemistry 57:1, pages 365-402.
Crossref
Crossref
Anders Osted, Jacob Kongsted, Kurt V. Mikkelsen, Per-Olof Åstrand & Ove Christiansen. (2006) Statistical mechanically averaged molecular properties of liquid water calculated using the combined coupled cluster/molecular dynamics method. The Journal of Chemical Physics 124:12.
Crossref
Crossref
Hanne Falsig, Allan Gross, Jacob Kongsted, Anders Osted, Marianne Sloth, Kurt V. Mikkelsen & Ove Christiansen. (2005) Uptake of Phenol on Aerosol Particles. The Journal of Physical Chemistry A 110:2, pages 660-670.
Crossref
Crossref
D. Abouelaoualim. (2005) Nonparabolicity effects on electron-confined LO-phonon scattering rates in GaAs-Al0.45Ga0.55As superlattice. Semiconductor physics, quantum electronics and optoelectronics 8:4, pages 60-64.
Crossref
Crossref
Jacopo Tomasi, Benedetta Mennucci & Roberto Cammi. (2005) Quantum Mechanical Continuum Solvation Models. Chemical Reviews 105:8, pages 2999-3094.
Crossref
Crossref
Kristian O. Sylvester-Hvid, Kurt V. Mikkelsen, Thomas M. Nymand & Per-Olof Åstrand. (2005) Refractive Index of Liquid Water in Different Solvent Models. The Journal of Physical Chemistry A 109:5, pages 905-914.
Crossref
Crossref
D. Abouelaoualim. (2004) Effects of LO-phonon confinement on electron mobility in GaAs-Al0.45 Ga0.55As superlattice. Semiconductor Physics, Quantum Electronics and Optoelectronics 7:4, pages 333-338.
Crossref
Crossref
Jacob Kongsted, Anders Osted, Kurt V. Mikkelsen, Per-Olof Åstrand & Ove Christiansen. (2004) Solvent effects on the n→π* electronic transition in formaldehyde: A combined coupled cluster/molecular dynamics study. The Journal of Chemical Physics 121:17, pages 8435-8445.
Crossref
Crossref
Anders Osted, Jacob Kongsted, Kurt V. Mikkelsen & Ove Christiansen. (2004) Linear Response Properties of Liquid Water Calculated Using CC2 and CCSD within Different Molecular Mechanics Methods. The Journal of Physical Chemistry A 108:41, pages 8646-8658.
Crossref
Crossref
Jacob Kongsted, Thomas Bondo Pedersen, Anders Osted, Aage E. Hansen, Kurt V. Mikkelsen & Ove Christiansen. (2004) Solvent Effects on Rotatory Strength Tensors. 1. Theory and Application of the Combined Coupled Cluster/Dielectric Continuum Model. The Journal of Physical Chemistry A 108:16, pages 3632-3641.
Crossref
Crossref
Jacob Kongsted, Anders Osted, Kurt V. Mikkelsen & Ove Christiansen. (2004) Second harmonic generation second hyperpolarizability of water calculated using the combined coupled cluster dielectric continuum or different molecular mechanics methods. The Journal of Chemical Physics 120:8, pages 3787-3798.
Crossref
Crossref
Jacob Kongsted, Anders Osted, Kurt V. Mikkelsen & Ove Christiansen. (2003) Nonlinear optical response properties of molecules in condensed phases using the coupled cluster/dielectric continuum or molecular mechanics methods. The Journal of Chemical Physics 119:20, pages 10519-10535.
Crossref
Crossref