Quantum Systems in Physics, Chemistry, and Biology - Progress in Theoretical Chemistry and Physics
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Published By Springer International Publishing

9783319502540, 9783319502557

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Population Analyses Based on Ionic Partition of Overlap Distributions

Quantum Systems in Physics, Chemistry, and Biology - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-3-319-50255-7_4 ◽

2017 ◽

pp. 65-74

Author(s):

Ya Kun Chen ◽

Yan Alexander Wang

Keyword(s):

Population Analyses

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Spin Effects in sp 2 Nanocarbons in the Light of Unrestricted Hartree-Fock Approach and Spin-Orbit Coupling Theory

Quantum Systems in Physics, Chemistry, and Biology - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-3-319-50255-7_3 ◽

2017 ◽

pp. 39-63

Author(s):

Elena F. Sheka

Keyword(s):

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Coupling Theory ◽

Hartree Fock ◽

Spin Effects

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On the Ordering of Orbital Energies in the ROHF Method: Koopmans’ Theorem versus Aufbau Principle

Quantum Systems in Physics, Chemistry, and Biology - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-3-319-50255-7_2 ◽

2017 ◽

pp. 17-37

Author(s):

B. N. Plakhutin ◽

A. V. Novikov ◽

N. E. Polygalova ◽

T. E. Prokhorov

Keyword(s):

Orbital Energies ◽

Theorem Versus ◽

Koopmans Theorem

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Why is the “Donor-Acceptor” Stretching a sine qua non in Understanding the Vibrational Signatures of Ionic Hydrogen Bonds?

Quantum Systems in Physics, Chemistry, and Biology - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-3-319-50255-7_15 ◽

2017 ◽

pp. 251-269

Author(s):

Jake A. Tan ◽

Jer-Lai Kuo

Keyword(s):

Hydrogen Bonds ◽

Donor Acceptor ◽

Ionic Hydrogen Bonds

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Electrodynamical and Quantum Chemical Modelling of Electrochemical and Catalytic Processes on Metals and Semiconductors: A Review

Quantum Systems in Physics, Chemistry, and Biology - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-3-319-50255-7_9 ◽

2017 ◽

pp. 159-167

Author(s):

A. V. Glushkov ◽

A. A. Svinarenko ◽

O. Yu. Khetselius ◽

Yu. V. Dubrovskaya ◽

A. S. Kvasikova ◽

...

Keyword(s):

Quantum Chemical ◽

Chemical Modelling ◽

Catalytic Processes

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On the Inter-Ring Torsion Potential of 2,2′-Bithiophene: A Review of Open Problems and Current Proposals

Quantum Systems in Physics, Chemistry, and Biology - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-3-319-50255-7_13 ◽

2017 ◽

pp. 209-230 ◽

Cited By ~ 1

Author(s):

Olga A. Guskova

Keyword(s):

Open Problems ◽

Torsion Potential

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The Dirac Operator in Quantum Chemistry and Physics

Quantum Systems in Physics, Chemistry, and Biology - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-3-319-50255-7_22 ◽

2017 ◽

pp. 361-374

Author(s):

Jacek Karwowski

Keyword(s):

Quantum Chemistry ◽

Dirac Operator

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Water Structuring at Non-Polar Fluid Interfaces

Quantum Systems in Physics, Chemistry, and Biology - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-3-319-50255-7_7 ◽

2017 ◽

pp. 119-138

Author(s):

Yana Tsoneva ◽

Alia Tadjer

Keyword(s):

Fluid Interfaces ◽

Polar Fluid ◽

Water Structuring

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Damage Induced by Proton Collisions on Building Blocks of Life

Quantum Systems in Physics, Chemistry, and Biology - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-3-319-50255-7_20 ◽

2017 ◽

pp. 331-339

Author(s):

Marie-Christine Bacchus-Montabonel

Keyword(s):

Building Blocks ◽

Proton Collisions

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Relativistic Many-Body Perturbation Theory Calculations of the Hyperfine Structure and Oscillator Strength Parameters for Some Heavy Element Atoms and Ions

Quantum Systems in Physics, Chemistry, and Biology - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-3-319-50255-7_16 ◽

2017 ◽

pp. 271-281 ◽

Cited By ~ 2

Author(s):

O. Yu. Khetselius ◽

P. A. Zaichko ◽

A. V. Smirnov ◽

V. V. Buyadzhi ◽

V. B. Ternovsky ◽

...

Keyword(s):

Perturbation Theory ◽

Hyperfine Structure ◽

Oscillator Strength ◽

Heavy Element ◽

Many Body ◽

Strength Parameters ◽

Many Body Perturbation Theory

Download Full-text

Quantum Systems in Physics, Chemistry, and Biology - Progress in Theoretical Chemistry and PhysicsLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer International Publishing

Population Analyses Based on Ionic Partition of Overlap Distributions

Spin Effects in sp 2 Nanocarbons in the Light of Unrestricted Hartree-Fock Approach and Spin-Orbit Coupling Theory

On the Ordering of Orbital Energies in the ROHF Method: Koopmans’ Theorem versus Aufbau Principle

Why is the “Donor-Acceptor” Stretching a sine qua non in Understanding the Vibrational Signatures of Ionic Hydrogen Bonds?

Electrodynamical and Quantum Chemical Modelling of Electrochemical and Catalytic Processes on Metals and Semiconductors: A Review

On the Inter-Ring Torsion Potential of 2,2′-Bithiophene: A Review of Open Problems and Current Proposals

The Dirac Operator in Quantum Chemistry and Physics

Water Structuring at Non-Polar Fluid Interfaces

Damage Induced by Proton Collisions on Building Blocks of Life

Relativistic Many-Body Perturbation Theory Calculations of the Hyperfine Structure and Oscillator Strength Parameters for Some Heavy Element Atoms and Ions

Quantum Systems in Physics, Chemistry, and Biology - Progress in Theoretical Chemistry and Physics
Latest Publications