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Vol 42 (10) ◽  
pp. 1206-1208 ◽  
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Akifumi Oda ◽  
Shuichi Fukuyoshi ◽  
Ryoichi Nakagaki ◽  
Ohgi Takahashi
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Quantum Chemical ◽  
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Suqing Zheng ◽  
Qing Tang ◽  
Jian He ◽  
Shiyu Du ◽  
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...  
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Quantum chemical calculations for the determination of the molecular structure of conjugated compounds

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Vol 51 ◽  
pp. 99-105 ◽  
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Peter Birner ◽  
Frieder Birnstock ◽  
Horst Hennig ◽  
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Development of a computer program for the determination of force field parameters derived from ab initio pes

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Ugo Cosentino ◽  
Giorgio Moro ◽  
Demetrio Pitea ◽  
Mercedes Procopio ◽  
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Ab Initio ◽  
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AMBER Force Field Parameters for Cobalt-Containing Biological Systems: A Systematic Derivation Study

2020 ◽  
Vol 124 (5) ◽  
pp. 777-787
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Hamed Haghshenas ◽  
Hossein Tavakol ◽  
Bita Kaviani ◽  
Gholamhossein Mohammadnezhad
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2017 ◽  
Vol 147 (16) ◽  
pp. 161708 ◽  
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Stefan Grimme ◽  
Christoph Bannwarth ◽  
Eike Caldeweyher ◽  
Jana Pisarek ◽  
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Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Tight Binding ◽  
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