Theoretical chemistry

Results: 969



#Item
21Chemistry / Quantum chemistry / Theoretical chemistry / Computational chemistry / Computational physics / Molecular modelling / CarParrinello molecular dynamics / Molecular dynamics / Density functional theory / BornOppenheimer approximation / HartreeFock method / Path integral molecular dynamics

Proc. Idea-Finding Symposium Frankfurt Institute for Advanced Studies–153 Idea-Finding Symposium Frankfurt Institute for Advanced Studies

Add to Reading List

Source URL: ftp.theochem.rub.de

Language: English - Date: 2004-02-24 03:00:44
22Chemistry / Nature / Computational chemistry / Theoretical chemistry / Quantum chemistry / Chemical bonding / Atomic physics / Crystal / HartreeFock method / Azulene / MllerPlesset perturbation theory / Partial charge

Volume201, number I ,2,3,4 CHEMICAL PHYSICS LETTERS 1 January 1993

Add to Reading List

Source URL: wwwuser.gwdg.de

Language: English - Date: 2013-05-10 05:14:28
23Physics / Theoretical physics / Mathematical physics / Quantum field theory / Renormalization group / Academia / Statistical mechanics / Protein structure / Renormalization / Deep learning / Protein folding / Energy landscape

We present new ideas which attempt to explain why Deep Learning works, taking lessons from Theoretical Chemistry, and integrating ideas from Protein Folding, Renormalization Group, and Quantum Chemistry. We address the i

Add to Reading List

Source URL: mmds-data.org

Language: English - Date: 2016-06-23 15:50:48
24Electromagnetism / Physics / Force / Dipole / Potential theory / Chemistry / Electric dipole moment / Atomic physics / Mass spectrometry / Ions / Rydberg atom / Trapped ion quantum computer

Theoretical Competition: 12 July 2011 Question 3

Add to Reading List

Source URL: www.ipho.org

Language: English - Date: 2012-03-19 23:59:15
25Chemistry / Physics / Nature / Atomic physics / Quantum chemistry / Chemical bonding / Atoms / Electron configuration / Theoretical chemistry / Effective nuclear charge / Electron shell / Electron

à Penetration and shielding We would like to understand the relative stability of many-electron subshells (fixed n but different ) in terms of the distribution of electron density for the different subshells. Here ar

Add to Reading List

Source URL: quantum.bu.edu

Language: English - Date: 2005-08-18 15:10:08
26Chemist / Spectroscopy / Theoretical chemistry / Graduate school / Rolla / University of Missouri System / Science / Learning

Subject: Ph.D. Student Position in Rolla, Missouri, USA Support is available for a qualified graduate student (Ph.D. level) to join my group either in August 2014 or JanuaryWhile completin

Add to Reading List

Source URL: chem.mst.edu

Language: English - Date: 2014-09-19 09:06:04
27Radioactivity / Radiobiology / Chemistry / Medicinal radiochemistry / Biology / Nuclear physics / Energy in Denmark / Ris DTU National Laboratory for Sustainable Energy / Roskilde / Technical University of Denmark / Radioactive tracer / Rigshospitalet

Practical and Theoretical Exercises.pdf

Add to Reading List

Source URL: www.nbi.ku.dk

Language: English - Date: 2016-02-01 05:47:20
28Physics / Nature / Visibility / Chemistry / SeaWiFS / Radiometry / Optical depth / Scattering / Rayleigh scattering / Aerosol / Mineral dust / Radiance

MODIS Clear Water Epsilons Algorithm Theoretical Basis Document ATBD 21 Version 6 June 2002

Add to Reading List

Source URL: oceancolor.gsfc.nasa.gov

Language: English
29GAMESS / Theoretical chemistry / Scalability / Quantum chemistry / Computing / Computer engineering

Exploring Tuning Strategies for Quantum Chemistry Computations Lakshminarasimhan Seshagiri1 , Meng-Shiou Wu1 , Masha Sosonkina1 , and Zhao Zhang2 1

Add to Reading List

Source URL: iwapt.org

Language: English - Date: 2009-08-04 11:55:57
30Chemistry / Matter / Condensed matter physics / Aerosol / Colloidal chemistry / Colloids / Physical chemistry / Solids

Alexei Lushnikov Date of birth: 30 May 1939, Moscow. Education: Moscow Engineering Physics Institute, Faculty of Theoretical and Experimental Physics, specialty “Theoretical Nuclear Physics” ( ).

Add to Reading List

Source URL: b.gcras.ru

Language: English - Date: 2015-12-03 08:37:34
UPDATE