Подписаться
Michele Pavanello
Michele Pavanello
Professor, Rutgers University-Newark
Подтвержден адрес электронной почты в домене rutgers.edu - Главная страница
Название
Процитировано
Процитировано
Год
ADF2017
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
SCM, Theoretical Chemistry, 2017
588*2017
ADF2017, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...
ADF. Available online: http://www. scm. com (accessed on 20 April 2020), 2014
5212014
Self-assembled organic nanowires for high power density lithium ion batteries
C Luo, R Huang, R Kevorkyants, M Pavanello, H He, C Wang
Nano letters 14 (3), 1596-1602, 2014
2162014
Born–Oppenheimer and non-Born–Oppenheimer, atomic and molecular calculations with explicitly correlated Gaussians
S Bubin, M Pavanello, WC Tung, KL Sharkey, L Adamowicz
Chemical reviews 113 (1), 36-79, 2013
1802013
Modelling charge transfer reactions with the frozen density embedding formalism
M Pavanello, J Neugebauer
The Journal of chemical physics 135 (23), 2011
1112011
Precision measurements and computations of transition energies in rotationally cold triatomic hydrogen ions up to the midvisible spectral range
M Pavanello, L Adamowicz, A Alijah, NF Zobov, II Mizus, OL Polyansky, ...
Physical review letters 108 (2), 023002, 2012
1082012
Theoretical Chemistry
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...
Vrije Universiteit, Amsterdam, The Netherlands https://www. scm. com, 2014
1042014
Fullerene as an electron buffer: charge transfer in Li@ C60
M Pavanello, AF Jalbout, B Trzaskowski, L Adamowicz
Chemical physics letters 442 (4-6), 339-343, 2007
1002007
Subsystem density-functional theory as an effective tool for modeling ground and excited states, their dynamics and many-body interactions
A Krishtal, D Sinha, A Genova, M Pavanello
Journal of Physics: Condensed Matter 27 (18), 183202, 2015
962015
Calibration-quality adiabatic potential energy surfaces for H3+ and its isotopologues
M Pavanello, L Adamowicz, A Alijah, NF Zobov, II Mizus, OL Polyansky, ...
The Journal of Chemical Physics 136 (18), 2012
922012
An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings
M Pavanello, T Van Voorhis, L Visscher, J Neugebauer
The Journal of chemical physics 138 (5), 2013
882013
Nonlocal kinetic energy functionals by functional integration
W Mi, A Genova, M Pavanello
The Journal of Chemical Physics 148 (18), 184107, 2018
812018
ADF2014. SCM. Theoretical Chemistry. Vrije Universiteit. Amsterdam
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, O Baseggio, D Bashford, ...
The Netherlands, 2014
74*2014
Very accurate potential energy curve of the LiH molecule
WC Tung, M Pavanello, L Adamowicz
The Journal of chemical physics 134 (6), 2011
672011
On the subsystem formulation of linear-response time-dependent DFT
M Pavanello
The Journal of Chemical Physics 138 (20), 2013
622013
Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu (111) and Au (111)
GJ Kroes, M Pavanello, M Blanco-Rey, M Alducin, DJ Auerbach
The Journal of Chemical Physics 141 (5), 2014
592014
Adiabatic energy loss in hyperthermal H atom collisions with Cu and Au: A basis for testing the importance of nonadiabatic energy loss
M Pavanello, DJ Auerbach, AM Wodtke, M Blanco-Rey, M Alducin, ...
The Journal of Physical Chemistry Letters 4 (21), 3735-3740, 2013
592013
High-accuracy calculations of the ground, 1 A11′, and the 2 A11′, 2 A31′, and 1 E1′ excited states of H3+
M Pavanello, L Adamowicz
The Journal of chemical physics 130 (3), 2009
582009
Low-lying excited states by constrained DFT
P Ramos, M Pavanello
The Journal of Chemical Physics 148 (14), 2018
552018
Performance of frozen density embedding for modeling hole transfer reactions
P Ramos, M Papadakis, M Pavanello
The Journal of Physical Chemistry B 119 (24), 7541-7557, 2015
552015
В данный момент система не может выполнить эту операцию. Повторите попытку позднее.
Статьи 1–20