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Physical Chemistry Chemical Physics : PCCP
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May 12, 2015
Accurate and efficient linear scaling DFT calculations with universal applicability
Stephan Mohr, Laura E Ratcliff, Luigi Genovese, et al.
Physical Review Letters
|
April 16, 2013
Low-energy polymeric phases of alanates
Tran Doan Huan, Maximilian Amsler, Miguel A L Marques, et al.
The Journal of Chemical Physics
|
June 2, 2014
Daubechies wavelets for linear scaling density functional theory
Stephan Mohr, Laura E Ratcliff, Paul Boulanger, et al.
Journal of Chemical Theory and Computation
|
June 20, 2017
Soft-Sphere Continuum Solvation in Electronic-Structure Calculations
Giuseppe Fisicaro, Luigi Genovese, Oliviero Andreussi, et al.
Scientific Reports
|
July 30, 2017
Emergence of superconductivity in doped H<sub>2</sub>O ice at high pressure
José A Flores-Livas, Antonio Sanna, Miglė Graužinytė, et al.
ACS Nano
|
February 27, 2015
Extended halogen bonding between fully fluorinated aromatic molecules
Shigeki Kawai, Ali Sadeghi, Feng Xu, et al.
The Journal of Physical Chemistry Letters
|
March 15, 2017
The Elephant in the Room of Density Functional Theory Calculations
Stig Rune Jensen, Santanu Saha, José A Flores-Livas, et al.
Physical Review Letters
|
September 26, 2012
Novel structural motifs in low energy phases of LiAlH4
Maximilian Amsler, José A Flores-Livas, Tran Doan Huan, et al.
Scientific Reports
|
April 6, 2019
Direct observation of single organic molecules grafted on the surface of a silicon nanowire
Rosaria A Puglisi, Sebastiano Caccamo, Corrado Bongiorno, et al.
Small (Weinheim an Der Bergstrasse, Germany)
|
August 18, 2016
Organometallic Bonding in an Ullmann-Type On-Surface Chemical Reaction Studied by High-Resolution Atomic Force Microscopy
Shigeki Kawai, Ali Sadeghi, Toshihiro Okamoto, et al.
Page
of 8
Search research articles
Search
Showing results (51-60 of 79) with videos related to
Sort By:
Page
of 8
Physical Chemistry Chemical Physics : PCCP
|
May 12, 2015
Accurate and efficient linear scaling DFT calculations with universal applicability
Stephan Mohr, Laura E Ratcliff, Luigi Genovese, et al.
Physical Review Letters
|
April 16, 2013
Low-energy polymeric phases of alanates
Tran Doan Huan, Maximilian Amsler, Miguel A L Marques, et al.
The Journal of Chemical Physics
|
June 2, 2014
Daubechies wavelets for linear scaling density functional theory
Stephan Mohr, Laura E Ratcliff, Paul Boulanger, et al.
Journal of Chemical Theory and Computation
|
June 20, 2017
Soft-Sphere Continuum Solvation in Electronic-Structure Calculations
Giuseppe Fisicaro, Luigi Genovese, Oliviero Andreussi, et al.
Scientific Reports
|
July 30, 2017
Emergence of superconductivity in doped H<sub>2</sub>O ice at high pressure
José A Flores-Livas, Antonio Sanna, Miglė Graužinytė, et al.
ACS Nano
|
February 27, 2015
Extended halogen bonding between fully fluorinated aromatic molecules
Shigeki Kawai, Ali Sadeghi, Feng Xu, et al.
The Journal of Physical Chemistry Letters
|
March 15, 2017
The Elephant in the Room of Density Functional Theory Calculations
Stig Rune Jensen, Santanu Saha, José A Flores-Livas, et al.
Physical Review Letters
|
September 26, 2012
Novel structural motifs in low energy phases of LiAlH4
Maximilian Amsler, José A Flores-Livas, Tran Doan Huan, et al.
Scientific Reports
|
April 6, 2019
Direct observation of single organic molecules grafted on the surface of a silicon nanowire
Rosaria A Puglisi, Sebastiano Caccamo, Corrado Bongiorno, et al.
Small (Weinheim an Der Bergstrasse, Germany)
|
August 18, 2016
Organometallic Bonding in an Ullmann-Type On-Surface Chemical Reaction Studied by High-Resolution Atomic Force Microscopy
Shigeki Kawai, Ali Sadeghi, Toshihiro Okamoto, et al.
Page
of 8