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Physical Chemistry Chemical Physics : PCCP
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April 13, 2017
Interrelationship between TiO<sub>2</sub> nanoparticle size and kind/size of dyes in the mechanism and conversion efficiency of dye sensitized solar cells
Pooya Tahay, Meisam Babapour Gol Afshani, Ali Alavi, et al.
Journal of Chemical Theory and Computation
|
March 7, 2017
Semistochastic Heat-Bath Configuration Interaction Method: Selected Configuration Interaction with Semistochastic Perturbation Theory
Sandeep Sharma, Adam A Holmes, Guillaume Jeanmairet, et al.
Endocrine, Metabolic & Immune Disorders Drug Targets
|
March 7, 2021
Association of Metabolic Syndrome and Asthma Status: A Prospective Study from Guilan Province, Iran
Fatemeh Nejatifar, Ali Alavi Foumani, Ahmad Reza Ghorban Poor, et al.
The Journal of Physical Chemistry. A
|
May 28, 2021
Resolution of Low-Energy States in Spin-Exchange Transition-Metal Clusters: Case Study of Singlet States in [Fe(III)<sub>4</sub>S<sub>4</sub>] Cubanes
Giovanni Li Manni, Werner Dobrautz, Nikolay A Bogdanov, et al.
The Journal of Chemical Physics
|
September 17, 2015
Preface: Special Topic Section on Advanced Electronic Structure Methods for Solids and Surfaces
Angelos Michaelides, Todd J Martinez, Ali Alavi, et al.
Journal of Chemical Theory and Computation
|
September 1, 2021
Spin-Pure Stochastic-CASSCF via GUGA-FCIQMC Applied to Iron-Sulfur Clusters
Werner Dobrautz, Oskar Weser, Nikolay A Bogdanov, et al.
The Journal of Chemical Physics
|
May 4, 2021
A full configuration interaction quantum Monte Carlo study of ScO, TiO, and VO molecules
Tonghuan Jiang, Yilin Chen, Nikolay A Bogdanov, et al.
The Journal of Chemical Physics
|
September 7, 2013
Explicitly correlated plane waves: accelerating convergence in periodic wavefunction expansions
Andreas Grüneis, James J Shepherd, Ali Alavi, et al.
The Journal of Chemical Physics
|
December 2, 2020
The color center singlet state of oxygen vacancies in TiO<sub>2</sub>
Ji Chen, Nikolay A Bogdanov, Denis Usvyat, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Natural Orbitals for Wave Function Based Correlated Calculations Using a Plane Wave Basis Set
Andreas Grüneis, George H Booth, Martijn Marsman, et al.
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of 18
Search research articles
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Showing results (101-110 of 174) with videos related to
Sort By:
Page
of 18
Physical Chemistry Chemical Physics : PCCP
|
April 13, 2017
Interrelationship between TiO<sub>2</sub> nanoparticle size and kind/size of dyes in the mechanism and conversion efficiency of dye sensitized solar cells
Pooya Tahay, Meisam Babapour Gol Afshani, Ali Alavi, et al.
Journal of Chemical Theory and Computation
|
March 7, 2017
Semistochastic Heat-Bath Configuration Interaction Method: Selected Configuration Interaction with Semistochastic Perturbation Theory
Sandeep Sharma, Adam A Holmes, Guillaume Jeanmairet, et al.
Endocrine, Metabolic & Immune Disorders Drug Targets
|
March 7, 2021
Association of Metabolic Syndrome and Asthma Status: A Prospective Study from Guilan Province, Iran
Fatemeh Nejatifar, Ali Alavi Foumani, Ahmad Reza Ghorban Poor, et al.
The Journal of Physical Chemistry. A
|
May 28, 2021
Resolution of Low-Energy States in Spin-Exchange Transition-Metal Clusters: Case Study of Singlet States in [Fe(III)<sub>4</sub>S<sub>4</sub>] Cubanes
Giovanni Li Manni, Werner Dobrautz, Nikolay A Bogdanov, et al.
The Journal of Chemical Physics
|
September 17, 2015
Preface: Special Topic Section on Advanced Electronic Structure Methods for Solids and Surfaces
Angelos Michaelides, Todd J Martinez, Ali Alavi, et al.
Journal of Chemical Theory and Computation
|
September 1, 2021
Spin-Pure Stochastic-CASSCF via GUGA-FCIQMC Applied to Iron-Sulfur Clusters
Werner Dobrautz, Oskar Weser, Nikolay A Bogdanov, et al.
The Journal of Chemical Physics
|
May 4, 2021
A full configuration interaction quantum Monte Carlo study of ScO, TiO, and VO molecules
Tonghuan Jiang, Yilin Chen, Nikolay A Bogdanov, et al.
The Journal of Chemical Physics
|
September 7, 2013
Explicitly correlated plane waves: accelerating convergence in periodic wavefunction expansions
Andreas Grüneis, James J Shepherd, Ali Alavi, et al.
The Journal of Chemical Physics
|
December 2, 2020
The color center singlet state of oxygen vacancies in TiO<sub>2</sub>
Ji Chen, Nikolay A Bogdanov, Denis Usvyat, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Natural Orbitals for Wave Function Based Correlated Calculations Using a Plane Wave Basis Set
Andreas Grüneis, George H Booth, Martijn Marsman, et al.
Page
of 18