Theoretical chemistry

Results: 969



#Item
51Atmospheric thermodynamics / Thermodynamic processes / Adiabatic process / Isochoric process / Potential temperature / Isobaric process / Isothermal process / Ideal gas law / Heat capacity / Ideal gas / Heat / Lapse rate

ESCI 341 – Atmospheric Thermodynamics Lesson 6 – Thermodynamic Processes References: An Introduction to Atmospheric Thermodynamics, Tsonis Introduction to Theoretical Meteorology, Hess Physical Chemistry (4th edition

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Source URL: snowball.millersville.edu

Language: English - Date: 2010-09-15 14:44:48
52Operator theory / Quantum mechanics / Theoretical chemistry / Operator / Dirac operator / Self-adjoint operator / Hamiltonian / operator

51 Documenta Math. Essential Spectrum of Multiparticle Brown–Ravenhall Operators in External Field

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Source URL: www.math.uiuc.edu

Language: English - Date: 2009-02-25 10:06:59
53Computational chemistry / GAMESS / Theoretical chemistry / MOLPRO / NWChem / Firefly / Fragment molecular orbital

Lakshminarasimhan
Seshagiri,
Meng‐Shiou
Wu,
Masha
Sosonkina
 Ames
Laboratory
,
Ames,
IA
50011
 Zhao
Zhang
 Iowa
State
University,
Ames,
IA
50011
 *
This
work
was
supporte

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Source URL: iwapt.org

Language: English - Date: 2009-10-15 20:01:42
54Theoretical chemistry / Molecular modelling / Spartan / Computational chemistry / Force field / Nuclear magnetic resonance / Amsterdam Density Functional / PQS

Computational Methods in iSpartan Traditional modeling programs offer an assortment of computational methods to the user. Because the time required for a computation is inversely related to the number of approximations u

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Source URL: www.wavefun.com

Language: English - Date: 2012-08-20 13:21:42
55Theoretical chemistry / Gaseous signaling molecules / Refrigerants / Inorganic solvents / Industrial gases / Hydrogen bond / Water dimer / Ab initio quantum chemistry methods / Ammonia / Quantum chemistry / Hydrogen / Crystal

JOURNAL OF CHEMICAL PHYSICS VOLUME 119, NUMBERSEPTEMBER 2003

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Source URL: ftp.theochem.ruhr-uni-bochum.de

Language: English - Date: 2003-09-16 07:19:22
56Computational chemistry / Molecular modelling / Theoretical chemistry / Quantum chemistry / Molecular dynamics / Henry F. Schaefer /  III / Force field / Quantum mechanics / Draft:Bernd Michael Rode / Bernd Michael Rode

APPENDIX 1 List of selected sites in the various part of the world at which QMS is carried out, and prominent scientists. Same order as in Section 3.

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Source URL: www.iaqms.org

Language: English - Date: 2010-02-28 06:24:47
57Quantum mechanics / Incidence geometry / Oval / Projective geometry / Perturbation theory / Raman scattering / Relaxation / Heat transfer physics

Molecular Resonance Raman and Rayleigh Scattering Stimulated by a Short Laser Pulse George A. Hagedorn∗ Department of Mathematics and Center for Statistical Mechanics, Mathematical Physics, and Theoretical Chemistry Vi

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Source URL: www.math.vt.edu

Language: English - Date: 2013-05-09 19:33:08
58Quantum chemistry / Atomic physics / Chemical bonding / Theoretical chemistry / Spintronics / Fermi heap and Fermi hole / Pauli exclusion principle / Electron / Atomic orbital / Energy level / Spin quantum number / Spin

03-4-FermiHolesAndHeaps.nb

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Source URL: quantum.bu.edu

Language: English - Date: 2008-09-07 14:25:55
59Density functional theory / Computational chemistry / Quantum chemistry / Theoretical chemistry / Atomic physics / Hybrid functional / Local-density approximation / Crystal / HartreeFock method / Electronic band structure / Electronic correlation / Jellium

Electronic Structure of Perovskites: Lessons from Hybrid Functionals

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Source URL: www.cond-mat.de

Language: English - Date: 2015-09-07 08:29:39
60Chemistry / Theoretical chemistry / Computational chemistry / Molecular modelling / Quantum chemistry / Spartan / Molecular dynamics / Chemical physics / Ab initio quantum chemistry methods / Inorganic chemistry / TURBOMOLE / Molecule

APPENDIX 2 List of selected sites at which QMS is carried out and prominent scientists.(EUROPE and AFRICA). Same order as in Section 3.

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Source URL: www.iaqms.org

Language: English - Date: 2010-02-28 06:25:03
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