Frontiers of Quantum Chemistry
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Published By Springer Singapore

9789811056505, 9789811056512

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Rigorous and Empirical Approaches to Correlated Single-Particle Theories

Frontiers of Quantum Chemistry ◽

10.1007/978-981-10-5651-2_1 ◽

2017 ◽

pp. 1-20 ◽

Cited By ~ 1

Author(s):

Johannes T. Margraf ◽

Rodney J. Bartlett

Keyword(s):

Single Particle ◽

Empirical Approaches

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Ab Initio Molecular Dynamics Study on Photoisomerization Reactions: Applications to Azobenzene and Stilbene

Frontiers of Quantum Chemistry ◽

10.1007/978-981-10-5651-2_18 ◽

2017 ◽

pp. 431-453

Author(s):

Tetsuya Taketsugu ◽

Yu Harabuchi

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Ab Initio Molecular Dynamics

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Calculation of Vibrational Spectra of Large Molecules from Their Fragments

Frontiers of Quantum Chemistry ◽

10.1007/978-981-10-5651-2_8 ◽

2017 ◽

pp. 181-197 ◽

Cited By ~ 2

Author(s):

Shigeki Yamamoto ◽

Petr Bouř

Keyword(s):

Vibrational Spectra ◽

Large Molecules ◽

Calculation Of Vibrational Spectra

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Embedding Methods in Quantum Chemistry

Frontiers of Quantum Chemistry ◽

10.1007/978-981-10-5651-2_7 ◽

2017 ◽

pp. 139-179 ◽

Cited By ~ 9

Author(s):

Albrecht Goez ◽

Johannes Neugebauer

Keyword(s):

Quantum Chemistry ◽

Embedding Methods

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Response Properties of Periodic Materials Subjected to External Electric and Magnetic Fields

Frontiers of Quantum Chemistry ◽

10.1007/978-981-10-5651-2_5 ◽

2017 ◽

pp. 87-115 ◽

Cited By ~ 2

Author(s):

Bernard Kirtman ◽

Lorenzo Maschio ◽

Michel Rérat ◽

Michael Springborg

Keyword(s):

Magnetic Fields ◽

Response Properties ◽

Electric And Magnetic Fields ◽

Periodic Materials

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Electron Communications and Chemical Bonds

Frontiers of Quantum Chemistry ◽

10.1007/978-981-10-5651-2_14 ◽

2017 ◽

pp. 315-351 ◽

Cited By ~ 1

Author(s):

Roman F. Nalewajski

Keyword(s):

Chemical Bonds

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Density Functional Theoretical Studies on Chemical Enhancement of Surface-Enhanced Raman Spectroscopy in Electrochemical Interfaces

Frontiers of Quantum Chemistry ◽

10.1007/978-981-10-5651-2_19 ◽

2017 ◽

pp. 455-482 ◽

Cited By ~ 1

Author(s):

Ran Pang ◽

De-Yin Wu ◽

Zhong-Qun Tian

Keyword(s):

Raman Spectroscopy ◽

Density Functional ◽

Surface Enhanced Raman Spectroscopy ◽

Theoretical Studies ◽

Chemical Enhancement ◽

Surface Enhanced ◽

Surface Enhanced Raman ◽

Electrochemical Interfaces

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Quantum Chemistry at the High Pressures: The eXtreme Pressure Polarizable Continuum Model (XP-PCM)

Frontiers of Quantum Chemistry ◽

10.1007/978-981-10-5651-2_12 ◽

2017 ◽

pp. 273-287 ◽

Cited By ~ 6

Author(s):

Roberto Cammi

Keyword(s):

Quantum Chemistry ◽

Continuum Model ◽

High Pressures ◽

Polarizable Continuum Model ◽

Extreme Pressure ◽

Polarizable Continuum

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Warming Up Density Functional Theory

Frontiers of Quantum Chemistry ◽

10.1007/978-981-10-5651-2_11 ◽

2017 ◽

pp. 249-271 ◽

Cited By ~ 7

Author(s):

Justin C. Smith ◽

Francisca Sagredo ◽

Kieron Burke

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory

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Quantum Chemical Methods for Predicting and Interpreting Second-Order Nonlinear Optical Properties: From Small to Extended π-Conjugated Molecules

Frontiers of Quantum Chemistry ◽

10.1007/978-981-10-5651-2_6 ◽

2017 ◽

pp. 117-138 ◽

Cited By ~ 7

Author(s):

Benoît Champagne ◽

Pierre Beaujean ◽

Marc de Wergifosse ◽

Marcelo Hidalgo Cardenuto ◽

Vincent Liégeois ◽

...

Keyword(s):

Optical Properties ◽

Quantum Chemical ◽

Nonlinear Optical ◽

Second Order ◽

Nonlinear Optical Properties ◽

Chemical Methods ◽

Conjugated Molecules ◽

Quantum Chemical Methods

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Frontiers of Quantum ChemistryLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer Singapore

Rigorous and Empirical Approaches to Correlated Single-Particle Theories

Ab Initio Molecular Dynamics Study on Photoisomerization Reactions: Applications to Azobenzene and Stilbene

Calculation of Vibrational Spectra of Large Molecules from Their Fragments

Embedding Methods in Quantum Chemistry

Response Properties of Periodic Materials Subjected to External Electric and Magnetic Fields

Electron Communications and Chemical Bonds

Density Functional Theoretical Studies on Chemical Enhancement of Surface-Enhanced Raman Spectroscopy in Electrochemical Interfaces

Quantum Chemistry at the High Pressures: The eXtreme Pressure Polarizable Continuum Model (XP-PCM)

Warming Up Density Functional Theory

Quantum Chemical Methods for Predicting and Interpreting Second-Order Nonlinear Optical Properties: From Small to Extended π-Conjugated Molecules

Frontiers of Quantum Chemistry
Latest Publications