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"quantum chemical" » "quantum mechanical", "quantum chemistry"
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101
by de Graaf, Coen, Broer, Ria
Published 2016
Springer International Publishing
“..., it also explains how quantum chemical methods, reaching from simple mean field methods to accurate models...”
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102
Published 1998
Springer Netherlands
“... studies, quantum chemical calculations, catalytic studies with model and real catalysts, as well...”
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103
Published 2019
Springer International Publishing
Table of Contents: “... Predictions -- Quantum-Chemical Insights from Interpretable Atomistic Neural Networks -- Interpretable Deep...”
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104
Published 2008
Springer Netherlands
Table of Contents: “... with Quantum-Chemical Calculations of Electronic Structure of H2CN2 Isomers -- Recurrent Complex Modules...”
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105
Published 1992
Springer Netherlands
Table of Contents: “... and Catalytic Aspects -- Photochemistry of Organometalllcs: Quantum Chemical Approach -- Photochemistry of Metal...”
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106
Published 1996
Springer Berlin Heidelberg
Table of Contents: “... in chemistry and biochemistry -- Lecture 3 A quantum chemical view of the initial photochemical event...”
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107
Published 2001
Springer Netherlands
Table of Contents: “... and Extraction -- Quantum Chemical Calculations on Alkali Metal Complexes -- Thermodynamics of Calixarene-Ion...”
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108
by Hotta, Shu
Published 2018
Springer Nature Singapore
“... and their transformation in a vector space. Finally, as an example of chemical applications, quantum chemical treatment...”
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109
Published 2014
Springer International Publishing
“... detailed survey of theoretical methods, both quantum-chemical and classical, and of their predictive power...”
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110
Published 2002
Springer Netherlands
“... of quantum chemical methods and programs, currently applied to calculate in vacuum systems, have been...”
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111
by Tumanskii, B.L., Kalina, O.
Published 2001
Springer Netherlands
“... radicals and their reactivity by EPR spectroscopy, and the comparison of the results with those of quantum...”
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112
Published 2001
Springer US
Table of Contents: “... Electron Density Theorem, an Extension of the Hohenberg-Kohn Theorem -- 9. Quantum Chemical Reactivity...”
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113
Published 1998
Springer Netherlands
Table of Contents: “... -- Molecular Mechanics Calculations on Protein-Ligand Complexes -- Quantum Chemical Models and Molecular...”
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114
Published 2019
Humana
Table of Contents: “... Simulations with Torsional Revisions of the AMBER Force Field -- Quantum Chemical and QM/MM Models...”
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115
Published 2022
Springer International Publishing
“... and quantum mechanics, quantum chemical models, and atoms and molecules in quantum chemistry. The interest...”
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116
Published 1987
Springer Berlin Heidelberg
Table of Contents: “... phase UPS and SCC-X? MO study/1/ -- Treatment of small metallic clusters with quantum chemical methods...”
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117
Published 1991
Springer Berlin Heidelberg
Table of Contents: “... Structures on Distributed Computer Systems by Use of Quantum Chemical and Vibrational Spectroscopic Methods...”
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118
Published 2003
Springer Netherlands
“... and superheavy elements. Recent years have witnessed a continued and growing interest in relativistic quantum...”
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119
by Klamt, Andreas
Published 2005
Elsevier
“..., resulting from quantum chemical calculations of the individual compounds in the mixture. In this book...”
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120
by Schlösser, Magnus
Published 2014
Springer International Publishing
“... comparison of experimental Raman depolarization ratios with corresponding quantum-chemical calculations...”