دنبال کردن
Michele Pavanello
Michele Pavanello
Professor, Rutgers University-Newark
ایمیل تأیید شده در rutgers.edu - صفحهٔ اصلی
عنوان
نقل شده توسط
نقل شده توسط
سال
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
5552014
ADF2017‏
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...‏
SCM, Theoretical Chemistry, 2017‏
445*2017
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
2122014
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
1882013
Modelling charge transfer reactions with the frozen density embedding formalism‏
M Pavanello, J Neugebauer‏
The Journal of chemical physics 135 (23), 2011‏
1122011
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
1092012
SCM, theoretical chemistry‏
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...‏
ADF2012 1, 2013‏
1082013
Theoretical Chemistry‏
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...‏
Vrije Universiteit, Amsterdam, The Netherlands https://www. scm. com, 2014‏
1012014
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
972015
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
902013
ADF2014. SCM. Theoretical Chemistry. Vrije Universiteit. Amsterdam‏
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, O Baseggio, D Bashford, ...‏
The Netherlands, 2014‏
84*2014
Nonlocal kinetic energy functionals by functional integration‏
W Mi, A Genova, M Pavanello‏
The Journal of Chemical Physics 148 (18), 184107, 2018‏
812018
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
632013
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
612014
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
582013
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
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
562015
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مقاله‌ها 1–20