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Lyudmila Slipchenko
Lyudmila Slipchenko
Inne imiona/nazwiskaLyudmila V Slipchenko, LV Slipchenko, L Slipchenko
Professor of Chemistry, Purdue University
Zweryfikowany adres z purdue.edu - Strona główna
Tytuł
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Cytowane przez
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Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
30332015
Advances in methods and algorithms in a modern quantum chemistry program package
Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ...
Physical Chemistry Chemical Physics 8 (27), 3172-3191, 2006
29422006
Fragmentation methods: A route to accurate calculations on large systems
MS Gordon, DG Fedorov, SR Pruitt, LV Slipchenko
Chemical reviews 112 (1), 632-672, 2012
10672012
Recent developments in the general atomic and molecular electronic structure system
GMJ Barca, C Bertoni, L Carrington, D Datta, N De Silva, JE Deustua, ...
The Journal of chemical physics 152 (15), 2020
8802020
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
et al Evgeny Epifanovsky, Andrew T. B. Gilbert, Xintian Feng, Joonho Lee ...
The Journal of Chemical Physics 155, 084801, 2021
6512021
Singlet-triplet gaps in diradicals by the spin-flip approach: A benchmark study
LV Slipchenko, AI Krylov
The Journal of chemical physics 117 (10), 4694-4708, 2002
3862002
Accurate methods for large molecular systems
MS Gordon, JM Mullin, SR Pruitt, LB Roskop, LV Slipchenko, JA Boatz
The Journal of Physical Chemistry B 113 (29), 9646-9663, 2009
2222009
Conformationally locked chromophores as models of excited-state proton transfer in fluorescent proteins
MS Baranov, KA Lukyanov, AO Borissova, J Shamir, D Kosenkov, ...
Journal of the American Chemical Society 134 (13), 6025-6032, 2012
1922012
Accurate first principles model potentials for intermolecular interactions
MS Gordon, QA Smith, P Xu, LV Slipchenko
Annual review of physical chemistry 64, 553-578, 2013
1822013
π-hydrogen bonding in liquid water
KP Gierszal, JG Davis, MD Hands, DS Wilcox, LV Slipchenko, ...
The Journal of Physical Chemistry Letters 2 (22), 2930-2933, 2011
1672011
Solvation of the excited states of chromophores in polarizable environment: Orbital relaxation versus polarization
LV Slipchenko
The Journal of Physical Chemistry A 114 (33), 8824-8830, 2010
1562010
Assessing Cholesterol Storage in Live Cells and C. elegans by Stimulated Raman Scattering Imaging of Phenyl-Diyne Cholesterol
HJ Lee, W Zhang, D Zhang, Y Yang, B Liu, EL Barker, KK Buhman, ...
Scientific reports 5 (1), 7930, 2015
1482015
Solvent Effects on the Electronic Transitions of p-Nitroaniline: A QM/EFP Study
D Kosenkov, LV Slipchenko
The Journal of Physical Chemistry A 115 (4), 392-401, 2011
1482011
Electrostatic energy in the effective fragment potential method: Theory and application to benzene dimer
LV Slipchenko, MS Gordon
Journal of computational chemistry 28 (1), 276-291, 2007
1452007
Modeling solvent effects on electronic excited states
A DeFusco, N Minezawa, LV Slipchenko, F Zahariev, MS Gordon
The Journal of Physical Chemistry Letters 2 (17), 2184-2192, 2011
1332011
Noncovalent interactions in extended systems described by the effective fragment potential method: Theory and application to nucleobase oligomers
D Ghosh, D Kosenkov, V Vanovschi, CF Williams, JM Herbert, MS Gordon, ...
The Journal of Physical Chemistry A 114 (48), 12739-12754, 2010
1332010
Damping functions in the effective fragment potential method
LV Slipchenko, MS Gordon
Molecular Physics 107 (8-12), 999-1016, 2009
1302009
Electronic structure of the trimethylenemethane diradical in its ground and electronically excited states: Bonding, equilibrium geometries, and vibrational frequencies
LV Slipchenko, AI Krylov
The Journal of chemical physics 118 (15), 6874-6883, 2003
1292003
Spin-conserving and spin-flipping equation-of-motion coupled-cluster method with triple excitations
LV Slipchenko, AI Krylov
The Journal of chemical physics 123 (8), 2005
1282005
Water− benzene interactions: an effective fragment potential and correlated quantum chemistry study
LV Slipchenko, MS Gordon
The Journal of Physical Chemistry A 113 (10), 2092-2102, 2009
1192009
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