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On the theoretical calculations of oxygen isotope fractionation factors for carbonate-water systems
oxygen isotope fractionation factor carbonate-water system theoretical calculation
2017/4/12
Theoretical and experimental aspects of oxygen isotope fractionation in carbonate minerals are critically examined
based on a direct comparison of fractionation factors for carbonate-water systems. T...
Synthesis of methyl (E)-2',4''-thiazachalcones and their N-alkyl derivatives, photochemistry with theoretical calculations and antimicrobial activities
Thiazachalcones N-decyl-4-thiazaclaconium bromide photodimerization antimicrobial activity
2010/4/8
A series of 9 new (E)-thiazachalcones (1-3), and their N-alkyl substituted derivatives (4-6), and stereoselective dimerization products (7-9) were synthesized, then tested for antimicrobial activity a...
Theoretical Calculations of Thermal Shifts of Ground-StateZero-Field-Splitting for Ruby
optical materials crystal fields electronic
paramagnetic resonance phonons thermal expansion
2007/8/15
2001Vol.36No.3pp.357-364DOI:
Theoretical Calculations of Thermal Shifts of Ground-StateZero-Field-Splitting for Ruby
MA Dong-Ping,1,2 CHEN Ju-Rong1 and MA Ning3
1 Depart...
Theoretical Calculations of Strain-Induced Splittings and/or Shifts of t232E and
t234A2
Levels for MgO:Cr3+
strain and stress splitting and shift of levels
ligand field admixture of wavefunctions single-electron
reduced matrix elements
2007/8/15
2001Vol.36No.2pp.219-226DOI:
Theoretical Calculations of Strain-Induced Splittings and/or Shifts of t232E and
t234A2
Levels for MgO:Cr3+
MA Dong-Ping,1,2 MA Ning3 and CHEN Ju-Ro...
Microscopic-Theoretical Calculations of R-Line Thermal Shifts and Broadenings of
MgO:V2+
crystal fields optical properties electron-phonon
interaction electronic structure thermal shift and broadening
thermal expansion
2007/8/15
2002Vol.37No.5pp.631-636DOI:
Microscopic-Theoretical Calculations of R-Line Thermal Shifts and Broadenings of
MgO:V2+
MA Dong-Ping,1,2 LIU Yan-Yun,1 MA Ning,3 and CHEN Ju-Rong1
...
Theoretical Calculations of g Factors and Hyperfine Structure Constants for Co2+ in
Cd2+(I) and
Cd2+(II) Sites of
CsCdCl3 Crystal
electron paramagnetic resonance spin-Hamilton
crystal- and ligand-field theory Co2+ CsCdCl3
2007/8/15
2002Vol.37No.4pp.509-512DOI:
Theoretical Calculations of g Factors and Hyperfine Structure Constants for Co2+ in
Cd2+(I) and
Cd2+(II) Sites of
CsCdCl3 Crystal
WU Shao-Yi,1,2,4 ...
Microscopic Theoretical Calculations of R-Line ThermalShifts and Broadenings of MgO:Cr3+
crystal fields optical properties thermal shift
and broadening electron-phonon interaction thermal expansion
2007/8/15
2002Vol.37No.3pp.373-380DOI:
Microscopic Theoretical Calculations of R-Line ThermalShifts and Broadenings of MgO:Cr3+
MA Dong-Ping,1,2 LIU Yan-Yun,1 MA Ning3 andCHEN Ju-Rong1
...
Theoretical Calculations for Structural, Elastic and Thermodynamic
Properties of MgB2 under High Pressure
elastic constants thermodynamic properties full-potential
linearized muffin-tin orbital MgB2
2007/8/15
2006Vol.45No.3pp.558-564DOI:
Theoretical Calculations for Structural, Elastic and Thermodynamic
Properties of MgB2 under High Pressure
WANG Hai-Yan,1,2 CHENG Yan,1,2 CHEN Xiang-Ro...
Synthesis and Biological Activities of N-Alkyl Derivatives of o-, m-, and p-Nitro (E)-4-Azachalcones and Stereoselective Photochemistry in Solution, with Theoretical Calculations
Nitro-(E)-4-azachalcones nitro-(E)-N-decyl-4-azachalconium bromide photodimerisation antimicrobial and antioxidant activities
2010/4/19
The N-alkyl derivatisation and photochemical dimerisation of 3 o-, m-, and p-nitro substituted 4-azachalcones (1-3) yielded 3 new o-, m-, and p-nitro substituted (E)-N-decyl-4-azachalconium bromides, ...