Search results for: atomic molecules

• Determining the optimal filling of the surface with a linker with Universal Force Field and Reax Force Field

  Open Research Data

  open access

  • B. Dec
  • R. Bogdanowicz
  • J. Ryl

  The DataSet contains the atomic slabs of diamond surfaces with  ATP molecules in water. The calculated data includes different sized surfaces from 90 Angstrom^2 to 691 Angstrom^2. Structures were relaxed using the Reax Force Field method with the Limited Memory Broyden–Fletcher–Goldfarb–Shanno algorithm. Structures were calculated with a convergence...

• Transition dipole moment functions of the KRb molecule

  Open Research Data

  open access

  • P. Jasik
  • P. Łobacz
  • J. Sienkiewicz

  - series: Potential energy curves, transition and permanent dipole moments of KRb

  Electronic transition dipole moment functions (TDMF) have been calculated for the singlet (s) and triplet (t) Sigma+ (S+), Pi (P), and Delta (D) electronic states of the KRb molecule. TDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. All results of the transition dipole moments...

• Permanent dipole moment functions of the KRb molecule

  Open Research Data

  open access

  • P. Jasik
  • P. Łobacz
  • J. Sienkiewicz

  - series: Potential energy curves, transition and permanent dipole moments of KRb

  Electronic permanent dipole moment functions (PDMF) have been calculated for the singlet (s) and triplet (t) Sigma+, Sigma-, Pi, and Delta electronic states of the KRb molecule. PDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. All results of the permanent dipole moments have been...

• AFM images of the platinum (111) single crystal surface as delivered, without the polishing treatment

  Open Research Data

  open access

  • A. Zieliński
  • J. Ryl

  - series: Scanning Probe Microscopies data

  Platinum (111) single crystal surface images as delivered, without polishing treatment. Topographic measurements in contact mode. NTEGRA Prima (NT-MDT) device. CSG probe 10.

• Electronic transition dipole moment functions of the first singlet Delta gerade and first triplet Delta ungerade states of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic transition dipole moment functions (ETDMF) of the first singlet Delta gerade (1sDg) and first triplet Delta ungerade (1tDu) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...

• Electronic transition dipole moment functions of the second triplet Sigma ungerade plus state of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic transition dipole moment functions (ETDMF) of the second triplet Sigma ungerade plus (2tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...

• Electronic transition dipole moment functions of the second singlet Sigma ungerade plus and second triplet Sigma gerade plus states of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic transition dipole moment functions (ETDMF) of the second singlet Sigma ungerade plus (2sSu+) and second triplet Sigma gerade plus (2tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...

• Electronic transition dipole moment functions of the third singlet Sigma gerade plus state of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic transition dipole moment functions (ETDMF) of the third singlet Sigma gerade plus (3sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...

• Electronic transition dipole moment functions of the first singlet Sigma ungerade plus and first triplet Sigma gerade plus states of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic transition dipole moment functions (ETDMF) of the first singlet Sigma ungerade plus (1sSu+) and first triplet Sigma gerade plus (1tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...

• Electronic transition dipole moment functions of the third triplet Sigma ungerade plus state of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic transition dipole moment functions (ETDMF) of the third triplet Sigma ungerade plus (3tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...

• Electronic transition dipole moment functions of the fourth triplet Sigma ungerade plus state of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic transition dipole moment functions (ETDMF) of the fourth triplet Sigma ungerade plus (4tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...

• Electronic transition dipole moment functions of the fourth singlet Sigma gerade plus state of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic transition dipole moment functions (ETDMF) of the fourth singlet Sigma gerade plus (4sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...

• Electronic transition dipole moment functions of the first singlet Pi gerade and first triplet Pi gerade states of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic transition dipole moment functions (ETDMF) of the first singlet Pi gerade (1sPg) and first triplet Pi gerade (1tPg) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...

• Electronic transition dipole moment functions of the second singlet Sigma gerade plus state of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic transition dipole moment functions (ETDMF) of the second singlet Sigma gerade plus (2sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...

• Electronic transition dipole moment functions of the fifth singlet Sigma gerade plus state of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic transition dipole moment functions (ETDMF) of the fifth singlet Sigma gerade plus (5sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...

• Electronic transition dipole moment functions of the third singlet Sigma ungerade plus and third triplet Sigma gerade plus states of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic transition dipole moment functions (ETDMF) of the third singlet Sigma ungerade plus (3sSu+) and third triplet Sigma gerade plus (3tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...

• Electronic transition dipole moment functions of the second singlet Pi gerade and second triplet Pi gerade states of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic transition dipole moment functions (ETDMF) of the second singlet Pi gerade (2sPg) and second triplet Pi gerade (2tPg) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...

• Electronic transition dipole moment functions of the fifth triplet Sigma ungerade plus state of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic transition dipole moment functions (ETDMF) of the fifth triplet Sigma ungerade plus (5tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...

• Electronic transition dipole moment functions of the first singlet Sigma gerade plus state of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic transition dipole moment functions (ETDMF) of the first singlet Sigma gerade plus (1sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...

• Electronic transition dipole moment functions of the first triplet Sigma ungerade plus state of the Lithium dimer

  Open Research Data

  open access

  • P. Jasik
  • J. Sienkiewicz

  - series: Electronic transition dipole moment functions of the Lithium dimer

  Electronic transition dipole moment functions (ETDMF) of the first triplet Sigma ungerade plus (1tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...